Chlorhexidine

Chlorhexidine

SCHEMBL728183

Cl.Cl.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1

nearest known ligand 0.45

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 Chlorhexidine. 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
▸ HDAC8 known ✓ Q9BY41 1/20 0.42
▸ SLC6A3 known ✓ Q01959 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ CNR1 P21554 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ USP2 O75604 2/20 0.39
▸ GBA1 P04062 1/20 0.39
▸ MC4R P32245 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ RCE1 Q9Y256 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
Chlorhexidine SCHEMBL3616 1.00 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHDAC8MEN1KMT2A
Chlorhexidine SCHEMBL10808378 1.00 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHDAC8MEN1KMT2A
Chlorhexidine SCHEMBL3617 1.00 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHDAC8MEN1KMT2A
Chlorhexidine SCHEMBL3984 0.98 LMNA (0.46) SMN1; SMN2LMNAHDAC8MEN1KMT2A
Chlorhexidine SCHEMBL1551122 0.98 LMNA (0.46) SMN1; SMN2LMNAHDAC8MEN1KMT2A
Chlorhexidine SCHEMBL1550787 0.98 LMNA (0.46) SMN1; SMN2LMNAHDAC8MEN1KMT2A
SCHEMBL6365499 0.98 LMNA (0.46) SMN1; SMN2LMNAHDAC8MEN1KMT2A
Chlorhexidine SCHEMBL23117798 0.97 LMNA (0.45) SMN1; SMN2LMNAHDAC8MEN1KMT2A
Chlorhexidine SCHEMBL6437831 0.97 LMNA (0.45) SMN1; SMN2LMNAHDAC8MEN1KMT2A
Chlorhexidine SCHEMBL2478603 0.97 LMNA (0.45) SMN1; SMN2LMNAHDAC8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044568-A1 ANTIMICROBIAL POLYCARBONATE COATINGS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-02-29 — — WO claimed
EP-2322161-B1 Composition for preventing and treating odontostomatological pathologies of animals Icf Srl (IT) 2014-12-31 — — EP claimed
WO-2014020133-A2 PROCESS AND DEVICE CRAWFORD HEALTHCARE LTD (GB) 2014-02-06 — — WO claimed
EP-2322161-A1 Composition for preventing and treating odontostomatological pathologies of animals I.C.F. S.r.l. (IT) 2011-05-18 — — EP claimed
US-7179849-B2 Antimicrobial compositions containing colloids of oligodynamic metals C. R. BARD, INC. (US) 2007-02-20 — — US claimed
US-6517852-B1 Quick reduction of germs even at low temperature using water and alcohol solution containing an active microbicidal chlor-hexidine compound ECOLAB GMBH CO. OHG (DE) 2003-02-11 — — US claimed
US-20020173824-A1 CARDIO THERAPEUTIC HEART SACK COSMOS GROUP, LLC 2002-11-21 — — US claimed
US-20020151950-A1 Cardio therapeutic heart sack ACORN CARDIOVASCULAR, INC. 2002-10-17 — — US claimed
EP-0971591-B1 DISINFECTION METHOD ECOLAB GMBH & CO OHG (DE) 2002-06-05 — — EP claimed
US-6261844-B1 10-20% SOLUTION OF CHLORHEXIDINE SALT AND 10-30% SOLUTION OF N-PROPYL GALLATE; USED AT AMBIENT TEMPERATURES; SAFELY HANDLED WITHOUT EXTENSIVE PRECAUTIONARY MEASURES; DOES NOT SUBSTANTIALLY ALTER PH THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION 2001-07-17 — — US claimed
EP-0788305-A4 COMPOSITION FOR INACTIVATING IRRITANTS IN FLUIDS UNIV COLUMBIA (US) 1999-05-26 — — EP claimed
JP-H09510976-A — — 1997-11-04 — — JP claimed
EP-0788305-A1 COMPOSITION FOR INACTIVATING IRRITANTS IN FLUIDS The Trustees of Columbia University in the City of New York (US) 1997-08-13 — — EP claimed
EP-0617611-B1 ORAL OSMOTIC DEVICE ALZA CORP (US) 1996-01-31 — — EP claimed
WO-1995026134-A1 COMPOSITION FOR INACTIVATING IRRITANTS IN FLUIDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1995-10-05 — — WO claimed
EP-0617611-A1 ORAL OSMOTIC DEVICE. ALZA CORP (US) 1994-10-05 — — EP claimed
WO-1993011748-A1 ORAL OSMOTIC DEVICE ALZA CORPORATION (US) 1993-06-24 — — WO claimed
US-5200194-A Oral osmotic device ALZA CORPORATION (US) 1993-04-06 — — US claimed
WO-2024044568-A1 ANTIMICROBIAL POLYCARBONATE COATINGS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-02-29 — — WO disclosed
EP-0122085-A1 Dressing Smith and Nephew Associated Companies p.l.c. (GB) 1984-10-17 — — EP disclosed
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