SCHEMBL3407434

SCHEMBL3407434

CN(C)C1(c2ccccc2)CCC(C)(C#N)CC1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 18/20 0.68
OPRM1 P35372 16/20 0.68
OPRK1 P41145 5/20 0.68

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
SCHEMBL3413521 0.82 OPRL1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL12520508 0.82 OPRL1 (0.68) OPRL1OPRM1OPRK1
SCHEMBL19093376 0.81 OPRL1 (0.66) OPRL1OPRM1OPRK1
SCHEMBL3413008 0.78 OPRL1 (0.61) OPRL1OPRM1OPRK1
SCHEMBL19097261 0.74 OPRM1 (0.56) OPRL1OPRM1OPRK1
SCHEMBL3407425 0.74 OPRL1 (0.56) OPRL1OPRM1OPRK1
SCHEMBL22101935 0.74 OPRL1 (0.82) OPRL1OPRM1OPRK1
SCHEMBL3404805 0.73 OPRM1 (0.65) OPRL1OPRM1OPRK1
SCHEMBL13695532 0.73 OPRL1 (0.79) OPRL1OPRM1OPRK1
SCHEMBL2782210 0.72 OPRL1 (0.78) OPRL1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502907-B1 Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH (DE) 2018-08-29 EP disclosed
EP-2518052-B1 Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH (DE) 2017-12-20 EP disclosed
EP-2260021-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-04-23 EP disclosed
CN-103214376-A Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH 2013-07-24 CN disclosed
EP-2518052-A1 Substituted 4-aminocyclohexane derivatives Grünenthal GmbH (DE) 2012-10-31 EP disclosed
EP-2502907-A1 Substituted 4-aminocyclohexane derivatives Grünenthal GmbH (DE) 2012-09-26 EP disclosed
CN-102046595-A Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH 2011-05-04 CN disclosed
EP-2260021-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2010-12-15 EP disclosed
WO-2009118168-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-10-01 WO disclosed