SCHEMBL19734523

SCHEMBL19734523

CCOc1cc2c(cc1[C@@]1(CO)C(=O)N(Cc3ccc(C(F)(F)F)o3)c3ccccc31)OCO2

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.60
SCN7A Q01118 1/20 0.60
SCN5A Q14524 1/20 0.60
SCN2A Q99250 1/20 0.60
SCN8A Q9UQD0 1/20 0.60
SCN10A Q9Y5Y9 1/20 0.60
ALDH1A1 P00352 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
SCHEMBL19734522 1.00 SCN9A (0.60) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734405 0.89 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734400 0.89 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19763103 0.88 SCN9A (0.64) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19763101 0.88 SCN9A (0.64) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734464 0.87 SCN9A (0.65) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL15312938 0.87 SCN9A (0.65) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL15316320 0.84 SCN9A (0.57) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734463 0.84 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734404 0.84 SCN9A (0.61) 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-2017218920-A1 ASYMMETRIC SYNTHESIS OF FUNAPIDE TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2017-12-21 WO disclosed