SCHEMBL4074406

SCHEMBL4074406

Cc1cc(C(N)=O)ccc1-c1cc(F)c(CNCCC2CCOCC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 7/20 0.39
NAMPT P43490 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
EGLN1 Q9GZT9 1/20 0.35
KLKB1 P03952 1/20 0.35
OXTR P30559 2/20 0.34
AVPR1A P37288 2/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
MAPK14 Q16539 1/20 0.34
CHEK2 O96017 1/20 0.33
AVPR2 P30518 1/20 0.33
AVPR1B P47901 1/20 0.33

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
SCHEMBL4074320 0.91 MAPK14 (0.37) OPRM1OPRD1OPRK1NAMPTEGLN1
SCHEMBL4256842 0.89 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL4081761 0.89 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1NAMPT
SCHEMBL4481852 0.85 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1EGLN1
SCHEMBL4483783 0.83 OPRM1 (0.56) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL4075640 0.80 BACE1 (0.39) OPRM1OPRD1OPRK1EGLN1KLKB1
SCHEMBL4080173 0.80 CYP2C9 (0.47) OXTRAVPR1AMAPK14AVPR2AVPR1B
SCHEMBL4078534 0.79 OPRM1 (0.41) OPRM1OPRD1OPRK1MAPK14
Hydrochloric Acid SCHEMBL4074231 0.78 OPRM1 (0.41) OPRM1OPRD1OPRK1MAPK14
SCHEMBL4080420 0.77 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1NAMPT

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