SCHEMBL2469619

SCHEMBL2469619

C=CCC1CC(c2ccccc2)(N(C)C)CCC12OCCc1c2[nH]c2ccccc12.O=C(O)OCC(OC(=O)O)C(O)OC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 20/20 0.45
OGFRL1 Q5TC84 14/20 0.45
OPRL1 P41146 9/20 0.45
OPRD1 P41143 3/20 0.45
OPRK1 P41145 3/20 0.45

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
SCHEMBL2437467 0.86 OPRM1 (0.59) OPRM1OGFRL1OPRL1OPRD1OPRK1
Isocitrate SCHEMBL2469617 0.83 OPRM1 (0.47) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2467942 0.78 OPRM1 (0.59) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL12792041 0.77 OPRM1 (0.62) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL6527673 0.77 OPRM1 (0.55) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2437531 0.77 OPRM1 (0.57) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2439790 0.76 OPRM1 (0.60) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2469666 0.75 OPRM1 (0.53) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2434544 0.75 OPRM1 (0.61) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2436209 0.74 OPRM1 (0.49) 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-2260042-B1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-09-21 EP disclosed