SCHEMBL21075488

SCHEMBL21075488

CC1(COc2cc(F)c(C(=O)N3CCCC3)cc2C2CCC2)CC2CC3CC(C1)C32

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.49
SCN5A Q14524 5/20 0.47
SCN7A Q01118 4/20 0.47
SCN1A P35498 3/20 0.45
SCN2A Q99250 3/20 0.45
SCN8A Q9UQD0 3/20 0.45
SCN2B O60939 1/20 0.45
SCN4A P35499 1/20 0.45
SCN1B Q07699 1/20 0.45
CYP2C9 P11712 1/20 0.43

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
SCHEMBL21075305 0.87 SCN9A (0.49) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075252 0.86 SCN9A (0.46) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075359 0.83 SCN9A (0.54) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075495 0.83 SCN9A (0.47) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075607 0.82 SCN9A (0.67) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075506 0.82 SCN9A (0.67) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075383 0.79 SCN9A (0.72) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075340 0.79 SCN9A (0.69) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075647 0.79 SCN9A (0.61) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075518 0.78 SCN9A (0.70) 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