SCHEMBL12470329

SCHEMBL12470329

CC(=O)c1cc2c(cc1O)OCC21C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.40
SCN7A Q01118 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35

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
SCHEMBL10289014 0.89 SCN9A (0.42) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL12470703 0.88 SCN9A (0.38) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281097 0.81 SCN9A (0.39) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL385938 0.81 SCN9A (0.42) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL12470097 0.81 SCN9A (0.39) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281307 0.81 SCN9A (0.45) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL15313059 0.80 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2305156 0.80 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281330 0.80 SCN9A (0.57) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2307183 0.80 SCN9A (0.57) SCN9ASCN7ASCN5ASCN2ASCN8A

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
WO-2012049555-A1 SPIROCYCLIC COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2012-04-19 WO disclosed