Alcohol

Alcohol

SCHEMBL3977328

CCO.c1ccc(C(c2ccccc2)N2CCNCC2)cc1

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Alcohol. 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
MEN1 O00255 1/20 0.79
KMT2A Q03164 1/20 0.79
OPRD1 P41143 13/20 0.66
OPRM1 P35372 3/20 0.64
OPRK1 P41145 1/20 0.59
USP2 O75604 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
CYP2D6 P10635 2/20 0.54
CYP19A1 P11511 1/20 0.54
SLC6A2 P23975 2/20 0.54
SLC6A4 P31645 2/20 0.54
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM5 P08912 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
DRD1 P21728 1/20 0.53

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
Propanol SCHEMBL27517512 0.93 MEN1 (0.74) MEN1KMT2AOPRD1OPRM1OPRK1
Propane SCHEMBL27542064 0.91 MEN1 (0.82) MEN1KMT2AOPRD1OPRM1OPRK1
Norchlorcyclizine SCHEMBL7989800 0.90 CYP2D6 (0.69) MEN1KMT2AOPRD1OPRM1CYP2C19
Butyl Alcohol SCHEMBL27541713 0.89 KMT2A (0.68) MEN1KMT2AOPRD1OPRM1OPRK1
SCHEMBL219432 0.89 MEN1 (1.00) MEN1KMT2AOPRD1OPRM1USP2
SCHEMBL2794662 0.89 MEN1 (1.00) MEN1KMT2AOPRD1OPRM1USP2
SCHEMBL27485345 0.87 MEN1 (0.96) MEN1KMT2AOPRD1OPRM1USP2
Fluoride SCHEMBL27959930 0.87 MEN1 (0.96) MEN1KMT2AOPRD1OPRM1USP2
Hydrochloric Acid SCHEMBL11456225 0.87 MEN1 (0.96) MEN1KMT2AOPRD1OPRM1USP2
Hydrochloric Acid SCHEMBL7006476 0.87 MEN1 (0.96) MEN1KMT2AOPRD1OPRM1USP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2275854-A None JP disclosed
WO-2009056934-A1 1,4-DIHYDRONAPHTHYRIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2009-05-07 WO disclosed
JP-H02275854-A OPTICALLY ACTIVE DIHYDROPYRIDINE DERIVATIVE, PRODUCTION AND ITS USE TAKEDA CHEM IND LTD 1990-11-09 JP disclosed