SCHEMBL4697957

SCHEMBL4697957

CN(C)C1(c2ccc(F)cc2)CCC(=CC(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.42
OPRL1 P41146 13/20 0.42
OPRK1 P41145 3/20 0.40
HSD11B1 P28845 1/20 0.37
OGFRL1 Q5TC84 2/20 0.37

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
Hydrochloric Acid SCHEMBL2378965 0.99 OPRM1 (0.41) OPRM1OPRL1OPRK1HSD11B1OGFRL1
SCHEMBL2781209 0.86 OPRM1 (0.57) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL2380060 0.85 OPRL1 (0.55) OPRM1OPRL1OPRK1
SCHEMBL2378955 0.83 OPRM1 (0.52) OPRM1OPRL1OPRK1OGFRL1
SCHEMBL2379208 0.79 EGFR (0.44) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL303289 0.79 EGFR (0.43) OPRM1OPRL1OPRK1
SCHEMBL2379624 0.77 OPRL1 (0.54) OPRM1OPRL1
SCHEMBL2378267 0.76 OPRM1 (0.53) OPRM1OPRL1
SCHEMBL517788 0.76 OPRM1 (0.44) OPRM1OPRL1OPRK1HSD11B1OGFRL1
Hydrochloric Acid SCHEMBL302160 0.76 OPRL1 (0.53) OPRM1OPRL1

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