SCHEMBL9493356

SCHEMBL9493356

O=C(Cc1cccc2sccc12)NC1c2ccccc2CCC1N1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.69
OPRK1 P41145 13/20 0.69

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
SCHEMBL9494197 0.96 OPRM1 (0.69) OPRM1OPRK1
SCHEMBL9494140 0.85 SIGMAR1 (0.51) OPRM1OPRK1
SCHEMBL8678608 0.83 OPRM1 (0.98) OPRM1OPRK1
SCHEMBL9702542 0.81 OPRM1 (0.66) OPRM1OPRK1
SCHEMBL9493289 0.81 SIGMAR1 (0.51) OPRM1OPRK1
SCHEMBL9703418 0.78 OPRM1 (0.66) OPRM1OPRK1
SCHEMBL9767788 0.74 OPRM1 (0.66) OPRM1OPRK1
SCHEMBL9493563 0.72 SIGMAR1 (0.50) OPRM1OPRK1
SCHEMBL10434805 0.70 OPRD1 (0.56) OPRM1OPRK1
SCHEMBL5674183 0.70 OPRM1 (0.98) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0329563-B1 BENZOCYCLOHEXANE AND BENZOCYCLOHEPTANE DERIVATIVES AND THEIR SALTS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-04-21 EP claimed
EP-0329563-B1 BENZOCYCLOHEXANE AND BENZOCYCLOHEPTANE DERIVATIVES AND THEIR SALTS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-04-21 EP disclosed