SCHEMBL9683897

SCHEMBL9683897

Cc1ccc(C2(C#N)CCC(C)(C)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.62
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL1020434 0.92 OPRM1 (0.70) OPRM1
SCHEMBL23512881 0.86 OPRM1 (0.64) OPRM1CYP1A2
SCHEMBL2441730 0.84 OPRM1 (0.66) OPRM1POLB
SCHEMBL625524 0.84 OPRM1 (0.66) OPRM1POLB
SCHEMBL17761267 0.83 OPRM1 (0.44) OPRM1CYP1A2CYP2D6
SCHEMBL181275 0.82 OPRM1 (0.64) OPRM1POLB
SCHEMBL10000801 0.81 OPRM1 (0.58) OPRM1CYP2D6
SCHEMBL13594179 0.79 OPRM1 (0.60) OPRM1
SCHEMBL11093941 0.78 OPRM1 (0.58) OPRM1
SCHEMBL21376918 0.76 OPRM1 (0.53) OPRM1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0485929-A1 Substituted azoles, process for their preparation and their application HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-20 EP disclosed