SCHEMBL21075340

SCHEMBL21075340

CC1(COc2cc(F)c(C(=O)N3CCCC3)cc2C2CC2)CCC2(CC1)CC2(F)F

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.69
SCN5A Q14524 3/20 0.54
SCN1A P35498 2/20 0.54
SCN2A Q99250 2/20 0.54
SCN8A Q9UQD0 2/20 0.54
CYP2C9 P11712 1/20 0.52
SCN7A Q01118 1/20 0.52

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
SCHEMBL21075647 0.94 SCN9A (0.61) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL21075506 0.90 SCN9A (0.67) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL15535560 0.86 SCN9A (0.67) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL17423467 0.86 SCN9A (0.63) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL17428708 0.82 SCN9A (0.59) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL21075359 0.82 SCN9A (0.54) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL21075145 0.82 SCN9A (0.55) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL16448661 0.82 SCN9A (0.62) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL15549608 0.82 SCN9A (1.00) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL21075305 0.80 SCN9A (0.49) SCN9ASCN5ASCN1ASCN2ASCN8A

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