SCHEMBL16448648

SCHEMBL16448648

CC(C)(C)OC(=O)c1cc(C2CC2)c(OC[C@]2(C)CC[C@H](C)CC2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.56
SCN1A P35498 2/20 0.53
SCN5A Q14524 2/20 0.53
SCN2A Q99250 2/20 0.53
SCN8A Q9UQD0 2/20 0.53
CYP2C9 P11712 1/20 0.53
SCN7A Q01118 1/20 0.53

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
SCHEMBL17069393 0.92 SCN9A (0.57) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL16448659 0.91 SCN9A (0.66) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL15535924 0.90 SCN9A (0.67) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL15536317 0.89 SCN9A (0.54) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL15536737 0.88 SCN9A (0.53) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL16448661 0.87 SCN9A (0.62) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL16759302 0.87 SCN9A (0.53) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL16448647 0.87 SCN9A (0.44) SCN9ASCN5A
SCHEMBL17061817 0.87 SCN9A (0.51) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL21825426 0.86 SCN9A (0.52) SCN9ASCN1ASCN5ASCN2ASCN8A

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
US-8952169-B2 N-substituted benzamides and methods of use thereof XENON PHARMACEUTICALS INC. (CA) 2015-02-10 US disclosed