SCHEMBL14110554

SCHEMBL14110554

C#CCc1c(C2CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.49
OPRL1 P41146 16/20 0.49
OGFRL1 Q5TC84 5/20 0.42
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40

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
SCHEMBL734825 0.85 OPRM1 (0.50) OPRM1OPRL1OGFRL1
SCHEMBL3939681 0.85 OPRM1 (0.49) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL735389 0.84 OPRM1 (0.48) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL735959 0.83 OPRM1 (0.47) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL733990 0.83 OPRM1 (0.47) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL3930717 0.83 OPRM1 (0.47) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL736432 0.83 OPRM1 (0.47) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL14110505 0.83 OPRM1 (0.49) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL14110496 0.82 KDM4E (0.48) OPRM1OPRL1OGFRL1
SCHEMBL3932682 0.81 OPRM1 (0.48) OPRM1OPRL1OGFRL1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044016-B1 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM GRUENENTHAL GMBH (DE) 2012-12-05 EP claimed