SCHEMBL10065032

SCHEMBL10065032

CN(C)C1(c2ccccc2)CCC2(CC1)c1[nH]c3ccccc3c1CCN2C(=O)c1ccc(F)c(C(C)(C)F)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 20/20 0.65
OGFRL1 Q5TC84 12/20 0.65
OPRL1 P41146 10/20 0.55
OPRD1 P41143 3/20 0.43
OPRK1 P41145 3/20 0.43

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
SCHEMBL2139927 0.94 OPRM1 (0.66) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2141380 0.90 OPRM1 (0.71) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2139659 0.89 OPRM1 (0.57) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2139636 0.85 OPRM1 (0.71) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2138564 0.85 OPRM1 (0.71) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2142158 0.85 OPRM1 (0.73) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2142164 0.84 OPRM1 (0.75) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2140017 0.84 OPRM1 (0.62) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2141802 0.84 OPRM1 (0.71) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2142497 0.83 OPRM1 (0.73) OPRM1OGFRL1OPRL1OPRD1OPRK1

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-1868600-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES FOR USE IN THE TREATMENT OF SUBSTANCE DEPENDENCY GRUENENTHAL GMBH (DE) 2012-06-27 EP disclosed