SCHEMBL21075252

SCHEMBL21075252

CC1(COc2cc(F)c(C(=O)N3CCC[C@H]3C(=O)O)cc2C2CCC2)CC2CC3CC(C1)C32

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.46
SCN5A Q14524 6/20 0.42
SCN7A Q01118 4/20 0.42
SCN1A P35498 3/20 0.42
SCN2A Q99250 3/20 0.42
SCN8A Q9UQD0 3/20 0.42
SCN2B O60939 1/20 0.42
SCN4A P35499 1/20 0.42
SCN1B Q07699 1/20 0.42
CYP2C9 P11712 1/20 0.40

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
SCHEMBL19083703 0.88 SCN9A (0.47) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075488 0.86 SCN9A (0.49) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075324 0.85 SCN9A (0.49) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL19083968 0.85 SCN9A (0.49) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL19084022 0.84 SCN9A (0.43) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL20498883 0.84 SCN9A (0.61) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL17423004 0.84 SCN9A (0.61) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL17423001 0.84 SCN9A (0.61) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL17428667 0.84 SCN9A (0.61) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL17423021 0.83 SCN9A (0.61) SCN9ASCN5ASCN7ASCN1ASCN2A

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