SCHEMBL3929599

SCHEMBL3929599

CN(C)C1(c2ccccc2)CC=C(c2c(CCO)sc3ccccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.39
OPRL1 P41146 14/20 0.39
PTPN1 P18031 2/20 0.37
OPRK1 P41145 2/20 0.35
OGFRL1 Q5TC84 1/20 0.34
NPY1R P25929 1/20 0.33

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 SCHEMBL735347 0.99 OPRL1 (0.38) OPRM1OPRL1PTPN1OPRK1OGFRL1
Hydrochloric Acid SCHEMBL735098 0.85 HRH1 (0.34) PTPN1
SCHEMBL734313 0.75 OPRM1 (0.41) OPRM1OPRL1OPRK1OGFRL1
SCHEMBL734734 0.74 ALDH1A1 (0.43) OPRM1OPRL1OPRK1OGFRL1
SCHEMBL735878 0.71 KDM4E (0.47) OPRM1OPRL1OPRK1OGFRL1
Hydrochloric Acid SCHEMBL735584 0.70 KDM4E (0.46) OPRM1OPRL1OPRK1OGFRL1
SCHEMBL734437 0.70 OPRM1 (0.44) OPRM1OPRL1OPRK1OGFRL1
SCHEMBL734294 0.69 OPRM1 (0.35) OPRM1OPRL1OPRK1OGFRL1
SCHEMBL734726 0.69 OPRM1 (0.48) OPRM1OPRL1OPRK1OGFRL1
SCHEMBL735120 0.69 OPRM1 (0.35) OPRM1OPRL1OGFRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044016-B1 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM GRUENENTHAL GMBH (DE) 2012-12-05 EP claimed
EP-2044016-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2009-04-08 EP claimed
WO-2008009415-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2008-01-24 WO claimed
EP-2044016-B1 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM GRUENENTHAL GMBH (DE) 2012-12-05 EP disclosed
EP-2044016-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2009-04-08 EP disclosed
WO-2008009415-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2008-01-24 WO disclosed