SCHEMBL8761982

SCHEMBL8761982

CN(C(=O)Cc1cccc2sccc12)[C@H]1CCCC[C@@H]1N1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.98
OPRK1 P41145 9/20 0.98
SIGMAR1 Q99720 1/20 0.72

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
SCHEMBL4545380 1.00 OPRM1 (0.98) OPRM1OPRK1SIGMAR1
SCHEMBL5674183 1.00 OPRM1 (0.98) OPRM1OPRK1SIGMAR1
Hydrochloric Acid SCHEMBL29878305 0.99 OPRM1 (1.00) OPRM1OPRK1SIGMAR1
Hydrochloric Acid SCHEMBL3078699 0.99 OPRM1 (1.00) OPRM1OPRK1SIGMAR1
Hydrochloric Acid SCHEMBL3078695 0.99 OPRM1 (1.00) OPRM1OPRK1SIGMAR1
SCHEMBL10366431 0.99 OPRM1 (0.98) OPRM1OPRK1SIGMAR1
SCHEMBL10366430 0.99 OPRM1 (0.98) OPRM1OPRK1SIGMAR1
Hydrochloric Acid SCHEMBL10366870 0.98 OPRM1 (1.00) OPRM1OPRK1SIGMAR1
Hydrochloric Acid SCHEMBL10366871 0.98 OPRM1 (1.00) OPRM1OPRK1SIGMAR1
SCHEMBL13828279 0.89 OPRM1 (0.78) OPRM1OPRK1

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-0632806-B1 AMINOCYCLOHEXYLAMIDES FOR ANTIARRHYTHMIC AND ANAESTHETIC USES UNIV BRITISH COLUMBIA (CA) 1997-07-02 EP claimed
EP-0632806-B1 AMINOCYCLOHEXYLAMIDES FOR ANTIARRHYTHMIC AND ANAESTHETIC USES UNIV BRITISH COLUMBIA (CA) 1997-07-02 EP disclosed
US-5506257-A SODIUM CHANNEL BLOCKERS UNIVERSITY OF BRITISH COLUMBIA (CA) 1996-04-09 US disclosed