SCHEMBL21075762

SCHEMBL21075762

CC1(COc2cc(F)c(C(=O)N3CCC[C@H]3CC(=O)O)cc2C2CC2)CCC2(CC1)CC2

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.59
SCN1A P35498 2/20 0.56
SCN5A Q14524 2/20 0.56
SCN2A Q99250 2/20 0.56
SCN8A Q9UQD0 2/20 0.56
CYP2C9 P11712 1/20 0.56
SCN7A Q01118 1/20 0.56

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
SCHEMBL17423001 0.88 SCN9A (0.61) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL17423004 0.88 SCN9A (0.61) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL17428602 0.84 SCN9A (0.61) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL21075506 0.83 SCN9A (0.67) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL17428674 0.83 SCN9A (0.62) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL17423330 0.83 SCN9A (0.62) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL17423021 0.81 SCN9A (0.61) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL17423096 0.81 SCN9A (0.61) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL21075691 0.81 SCN9A (0.50) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL21075200 0.81 SCN9A (0.57) 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
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed