SCHEMBL4083677

SCHEMBL4083677

NC(=O)c1ccc(-c2ccc(CNCCC3CCOCC3)cc2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.57
OPRD1 P41143 2/20 0.57
OPRK1 P41145 2/20 0.57
MAPK1 P28482 4/20 0.41
CCR2 P41597 2/20 0.39
EPHX2 P34913 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CHEK2 O96017 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
CSNK2A1 P68400 1/20 0.36
EIF4E P06730 1/20 0.36
OPRL1 P41146 2/20 0.36

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
SCHEMBL4075945 0.93 OPRM1 (0.57) OPRM1OPRD1OPRK1MAPK1CCR2
SCHEMBL4081821 0.91 OPRM1 (0.48) OPRM1OPRD1OPRK1CHEK2SLC6A2
SCHEMBL4078358 0.88 OPRM1 (0.51) OPRM1OPRD1OPRK1EPHX2CHRM2
SCHEMBL4481852 0.88 OPRM1 (0.57) OPRM1OPRD1OPRK1MAPK1CHEK2
SCHEMBL4080420 0.85 OPRM1 (0.45) OPRM1OPRD1OPRK1MAPK1EPHX2
SCHEMBL4081761 0.85 OPRM1 (0.46) OPRM1OPRD1OPRK1CCR2EPHX2
SCHEMBL4483783 0.81 OPRM1 (0.56) OPRM1OPRD1OPRK1MAPK1CHRM2
SCHEMBL4071701 0.80 OPRM1 (0.47) OPRM1OPRD1OPRK1ADRB1ADRB3
SCHEMBL12608136 0.79 OPRM1 (0.41) OPRM1OPRD1OPRK1CSNK2A1
Hydrochloric Acid SCHEMBL3340392 0.78 OPRM1 (0.41) OPRM1OPRD1OPRK1CSNK2A1

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
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US claimed
EP-2084127-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-08-05 EP claimed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO claimed