Hexamidine

Hexamidine

SCHEMBL3629982

Cl.N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hexamidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.96
CHRM4 known ✓ P08173 1/20 0.96
CHRM5 known ✓ P08912 1/20 0.96
ADRA2A known ✓ P08913 1/20 0.96
MAOA known ✓ P21397 1/20 0.96
DRD1 known ✓ P21728 1/20 0.96
ACHE known ✓ P22303 1/20 0.96
SLC6A2 known ✓ P23975 1/20 0.96
HTR2A known ✓ P28223 1/20 0.96
HTR2C known ✓ P28335 1/20 0.96
SLC6A4 known ✓ P31645 1/20 0.96
ADRA1A known ✓ P35348 1/20 0.96
OPRM1 known ✓ P35372 1/20 0.96
DRD3 known ✓ P35462 1/20 0.96
SLC6A3 known ✓ Q01959 1/20 0.96
GRIN1 known ✓ Q05586 1/20 0.96
KCNH2 known ✓ Q12809 1/20 0.96
GRIN2A known ✓ Q12879 1/20 0.96
HRH3 known ✓ Q9Y5N1 1/20 0.96
PRSS1 P07477 7/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Pentamidine SCHEMBL3227 1.00 PRSS1 (1.00) PRSS1PRMT1F2ST14TMPRSS2
Pentamidine SCHEMBL7060561 1.00 PRSS1 (1.00) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL14599631 0.98 PRMT1 (1.00) PRSS1PRMT1F2ST14TMPRSS2
Hexamidine SCHEMBL144738 0.98 PRMT1 (1.00) PRSS1PRMT1F2ST14TMPRSS2
Pentamidine SCHEMBL3329 0.98 PRMT1 (1.00) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL14599639 0.98 PRMT1 (1.00) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL14599628 0.98 PRMT1 (1.00) PRSS1PRMT1F2ST14TMPRSS2
Heptamidine SCHEMBL14599630 0.98 PRMT1 (1.00) PRSS1PRMT1F2ST14TMPRSS2
Pentamidine SCHEMBL6906034 0.96 PRMT1 (0.96) PRSS1PRMT1F2ST14TMPRSS2
Hexamidine SCHEMBL306398 0.96 PRMT1 (0.96) PRSS1PRMT1F2ST14TMPRSS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4531701-B2 2010-08-25 JP claimed
EP-1605981-B1 HEMORRHOID TREATMENT PAD PROCTER & GAMBLE (US) 2009-04-08 EP claimed
JP-2006518711-A 2006-08-17 JP claimed
EP-1605981-A1 HEMORRHOID TREATMENT PAD THE PROCTER & GAMBLE COMPANY (US) 2005-12-21 EP claimed
WO-2004073757-A1 HEMORRHOID TREATMENT PAD THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO claimed
US-20040167479-A1 Hemorrhoid treatment pad THE PROCTER & GAMBLE COMPANY 2004-08-26 US claimed
CN-114778748-B Method for measuring residual amount of chlorphenidine hydrochloride in soil by high performance liquid chromatography 贵州大学 2023-05-16 CN disclosed
US-10568781-B2 Sanitary napkins capable of taking complex three-dimensional shape in use THE PROCTER & GAMBLE COMPANY (US) 2020-02-25 US disclosed
US-10265434-B2 Absorbent articles comprising glyceride copolymers THE PROCTER & GAMBLE COMPANY (US) 2019-04-23 US disclosed
US-20180161474-A1 ABSORBENT ARTICLES COMPRISING GLYCERIDE COPOLYMERS THE PROCTER & GAMBLE COMPANY 2018-06-14 US disclosed
WO-2018013151-A1 ABSORBENT ARTICLES COMPRISING METATHESIZED UNSATURATED POLYOL ESTERS THE PROCTER & GAMBLE COMPANY (US) 2018-01-18 WO disclosed
US-20180008484-A1 ABSORBENT ARTICLES COMPRISING METATHESIZED UNSATURATED POLYOL ESTERS THE PROCTER & GAMBLE COMPANY 2018-01-11 US disclosed
US-20170119591-A1 SANITARY NAPKINS CAPABLE OF TAKING COMPLEX THREE-DIMENSIONAL SHAPE IN USE PROCTER & GAMBLE (US) 2017-05-04 US disclosed
US-20040170589-A1 Sanitary napkins with hydrophobic lotions PROCTER & GAMBLE COMPANY, THE 2004-09-02 US disclosed
WO-2004073757-A1 HEMORRHOID TREATMENT PAD THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed
US-20040167479-A1 Hemorrhoid treatment pad THE PROCTER & GAMBLE COMPANY 2004-08-26 US disclosed
EP-1432457-A1 SANITARY NAPKINS WITH HYDROPHOBIC LOTIONS THE PROCTER & GAMBLE COMPANY (US) 2004-06-30 EP disclosed
US-20030206943-A1 Sanitary napkins with hydrophobic lotions THE PROCTER & GAMBLE COMPANY 2003-11-06 US disclosed
US-20030082219-A1 Skin care compositions comprising low concentrations of skin treatment agents THE PROCTER & GAMBLE COMPANY 2003-05-01 US disclosed
WO-2003028776-A1 SANITARY NAPKINS WITH HYDROPHOBIC LOTIONS THE PROCTER & GAMBLE COMPANY (US) 2003-04-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030082219-A1 Skin care compositions comprising low concentrations of skin treatment agents CUTA, MAL2, NISCH CHRM2 4492/4885CHRM4 3830/4885CHRM5 3476/4885
US-20040170589-A1 Sanitary napkins with hydrophobic lotions POLR1C, TMEM205, CUTA CHRM2 3696/4885CHRM4 4181/4885CHRM5 2285/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.