SCHEMBL4046970

SCHEMBL4046970

CN(C)C1(c2ccccc2)CCC2(CC1)SCCc1oc3ccccc3c12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.54
OGFRL1 Q5TC84 2/20 0.54
OPRL1 P41146 17/20 0.46
OPRK1 P41145 6/20 0.46
OPRD1 P41143 2/20 0.38

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
SCHEMBL4050098 0.93 OPRM1 (0.48) OPRM1OGFRL1OPRL1OPRK1
SCHEMBL1305494 0.82 OPRM1 (0.58) OPRM1OGFRL1OPRL1OPRK1OPRD1
SCHEMBL4053562 0.77 OPRM1 (0.55) OPRM1OGFRL1OPRL1OPRK1OPRD1
SCHEMBL4049842 0.73 OPRM1 (0.48) OPRM1OGFRL1OPRL1OPRK1OPRD1
Citric Acid SCHEMBL1303790 0.72 OPRM1 (0.47) OPRM1OGFRL1OPRL1OPRK1OPRD1
SCHEMBL4047623 0.71 OPRM1 (0.49) OPRM1OGFRL1OPRL1OPRK1
SCHEMBL1304619 0.71 OPRM1 (0.60) OPRM1OGFRL1OPRL1OPRK1OPRD1
Sulfuric Acid SCHEMBL5651389 0.71 OPRM1 (0.48) OPRM1OGFRL1OPRL1OPRK1
SCHEMBL682213 0.70 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRK1OPRD1
SCHEMBL1119635 0.70 OPRL1 (0.56) OPRM1OPRL1OPRK1

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-1697379-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-03-25 EP claimed