Pentamidine

Pentamidine

SCHEMBL3227

Cl.N=C(N)c1ccc(OCCCCCOc2ccc(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 Pentamidine. 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
Hexamidine SCHEMBL3629982 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 1358 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119947556-A Perovskite precursor solution, preparation method thereof and perovskite solar cell 广东脉络能源科技有限公司 2025-05-06 CN claimed
CN-119604170-A Defect-passivated perovskite solar cell and preparation method thereof 北京工业大学 2025-03-11 CN claimed
CN-116761477-A Method for inducing perovskite film to orient and nucleate and application 浙江大学 2023-09-15 CN claimed
CN-113336709-B Preparation method of N, N-dimethylacetamide 上海立科化学科技有限公司 2022-06-03 CN claimed
CN-114380749-A Preparation method of glyoxal 广西金茂生物化工有限公司 2022-04-22 CN claimed
CN-216039344-U Hydrogen chloride waste gas recycle device in imidazole aldehyde production 珠海润都制药股份有限公司 2022-03-15 CN claimed
CN-113336709-A Preparation method of N, N-dimethylacetamide 上海立科化学科技有限公司 2021-09-03 CN claimed
CN-107973784-B Synthesis method of fimasartan 珠海市海瑞德生物科技有限公司 2021-08-24 CN claimed
CN-112159411-A Trifluoromethyl substituted pyrimido [1,3] diaza compound and preparation method thereof 南京工业大学 2021-01-01 CN claimed
WO-2020068665-A1 USE OF COLLAGEN BINDING DOMAINS TO DELIVER PRODUCTS TO SKIN FABIUS BIOTECHNOLOGY (US) 2020-04-02 WO claimed
WO-2013011514-A1 PROTEOLYTIC EXTRACT FROM BROMELAIN FOR THE TREATMENT OF CONNECTIVE TISSUE DISORDERS MEDIWOUND LTD. (IL) 2013-01-24 WO claimed
CN-102666496-A New preparation method of 2- (2-N-butyl-4-hydroxy-6-methyl-pyrimidin-5-yl) -N, N-dimethylacetamide BORYUNG PHARM 2012-09-12 CN claimed
EP-1848541-A2 METHOD AND DEVICE FOR OPHTHALMIC ADMINISTRATION OF ACTIVE PHARMACEUTICAL INGREDIENTS Pharmalight Inc. (US) 2007-10-31 EP claimed
WO-2007117352-A2 TOPICAL THERAPEUTIC DELIVERY SYSTEM MURAD HOWARD (US) 2007-10-18 WO claimed
WO-2007092085-A2 FRAGRANCED THERAPEUTIC DELIVERY SYSTEM MURAD HOWARD (US) 2007-08-16 WO claimed
WO-2006082588-A2 METHOD AND DEVICE FOR OPHTHALMIC ADMINISTRATION OF ACTIVE PHARMACEUTICAL INGREDIENTS PHARMALIGHT INC. (US) 2006-08-10 WO claimed
US-5948416-A LEAVE ON SKIN CARE COMPOSITION; HYDROPHOBIC STRUCTURING AGENT; HYDROPHILIC CATIONIC SURFACTANT; ACTIVE COMPOUND THE PROCTER & GAMBLE COMPANY (US) 1999-09-07 US claimed
US-5780049-A Enhanced skin penetration system for improved topical delivery of drugs RICHARDSON-VICKS INC. (US) 1998-07-14 US claimed
US-5364615-A Pentamidine administered in aerosol form for treatment of Pmeumonia REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-11-15 US claimed
EP-0315467-A2 Pentamidine salts useful in the treatment and prophylaxis of pneumocystis carinii pneumonia LyphoMed, Inc. (US) 1989-05-10 EP claimed