SCHEMBL21075498

SCHEMBL21075498

CC1CC2C[C@@H](C1)CC(C)(COc1cc(F)c(C(=O)NCC(=O)O)cc1C1CC1)C2

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.57
SCN5A Q14524 8/20 0.57
SCN7A Q01118 6/20 0.57
SCN1A P35498 2/20 0.51
SCN2A Q99250 2/20 0.51
SCN8A Q9UQD0 2/20 0.51
CYP2C9 P11712 1/20 0.51
SCN2B O60939 1/20 0.51
SCN4A P35499 1/20 0.51
SCN1B Q07699 1/20 0.51

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
SCHEMBL21075169 1.00 SCN9A (0.57) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075633 0.92 SCN9A (0.56) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075168 0.90 SCN9A (0.56) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL17422961 0.87 SCN9A (0.71) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075823 0.87 SCN9A (0.71) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075388 0.86 SCN9A (0.59) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075668 0.86 SCN9A (0.55) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075123 0.86 SCN9A (0.55) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075393 0.86 SCN9A (0.60) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075567 0.85 SCN9A (0.65) 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