SCHEMBL13680818

SCHEMBL13680818

O=CCCc1cccc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 9/20 0.52
SCN9A Q15858 7/20 0.43
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PDE10A Q9Y233 1/20 0.37
CHRNA7 P36544 1/20 0.37
ADORA3 P0DMS8 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
SCHEMBL13680824 0.82 SUCNR1 (0.44) TRPV3SCN9AADORA3
SCHEMBL13680850 0.82 TRPV3 (0.53) TRPV3SCN9A
SCHEMBL3854280 0.82 MEN1 (0.50) TRPV3PDE10A
SCHEMBL13680834 0.81 PDE10A (0.39) TRPV3PDE10AADORA3
SCHEMBL30755516 0.79 TRPV3 (0.51) TRPV3SCN9ACTSK
SCHEMBL4831269 0.77 TRPV3 (0.54) TRPV3SCN9ACHRNA7
SCHEMBL4592336 0.77 TRPV3 (0.54) TRPV3SCN9ACTSSCTSK
SCHEMBL4592059 0.77 TRPV3 (0.61) TRPV3SCN9A
SCHEMBL3721067 0.77 TRPV3 (0.54) TRPV3SCN9A
SCHEMBL30755490 0.77 TRPV3 (0.54) TRPV3SCN9ACHRNA7

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed