SCHEMBL4705017

SCHEMBL4705017

COc1cc(O)c2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.69
OPRM1 P35372 9/20 0.69
OPRK1 P41145 7/20 0.69
LMNA P02545 1/20 0.69
PDE4D Q08499 1/20 0.69
MRGPRX2 Q96LB1 1/20 0.69
GAA P10253 1/20 0.44

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
SCHEMBL30340025 1.00 OPRD1 (0.69) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL29389298 1.00 OPRD1 (0.69) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL3687986 0.89 OPRD1 (0.71) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL12646374 0.89 OPRD1 (0.69) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL18457908 0.89 OPRD1 (0.69) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL31492345 0.89 OPRD1 (0.69) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL12945146 0.89 OPRD1 (0.69) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL17284758 0.89 OPRD1 (0.69) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL6627728 0.87 OPRD1 (0.54) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL3176373 0.85 OPRD1 (0.62) OPRD1OPRM1OPRK1LMNAPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0911334-B1 QUINOLINOMORPHINANE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2008-05-21 EP disclosed
EP-1203771-A1 REMEDIES OR PREVENTIVES FOR FREQUENT URINATION OR URINARY INCONTINENCE TORAY INDUSTRIES, INC. (JP) 2002-05-08 EP disclosed
US-6172078-B1 PREVENTING WORSENING OF CEREBRAL STROKE; ANTIISCHEMIC AGENTS; BRAIN DISORDERS TORAY INDUSTRIES, INC. (JP) 2001-01-09 US disclosed
EP-0911334-A1 QUINOLINOMORPHINANE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1999-04-28 EP disclosed