SCHEMBL4702248

SCHEMBL4702248

CN(C)C1(c2ccccc2)CCC(CNC(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 19/20 0.55
OPRM1 P35372 17/20 0.55
OPRK1 P41145 1/20 0.50

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
SCHEMBL21766368 0.90 OPRL1 (0.54) OPRL1OPRM1OPRK1
SCHEMBL19145436 0.89 OPRL1 (0.54) OPRL1OPRM1OPRK1
SCHEMBL21766632 0.88 OPRL1 (0.56) OPRL1OPRM1
SCHEMBL25678122 0.87 OPRL1 (0.60) OPRL1OPRM1OPRK1
SCHEMBL2780075 0.84 ALDH1A1 (0.53) OPRL1OPRM1OPRK1
SCHEMBL19148275 0.82 OPRL1 (0.48) OPRL1OPRM1OPRK1
SCHEMBL19146068 0.82 OPRL1 (0.58) OPRL1OPRM1OPRK1
SCHEMBL2780290 0.81 OPRL1 (0.59) OPRL1OPRM1OPRK1
SCHEMBL4849182 0.81 OPRM1 (0.74) OPRL1OPRM1
Hydrochloric Acid SCHEMBL4852374 0.80 OPRM1 (0.75) OPRL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560823-B1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2008-07-09 EP disclosed
EP-1560823-A1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS Grünenthal GmbH (DE) 2005-08-10 EP disclosed
WO-2004043949-A1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS Grünenthal GmbH (DE) 2004-05-27 WO disclosed