SCHEMBL3236231

SCHEMBL3236231

CC(=O)Nc1cccc(Nc2ncnc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)c1C

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 0.69
▸ SCN5A Q14524 4/20 0.67
▸ KCNH2 Q12809 4/20 0.67
▸ SCN4A P35499 1/20 0.56
▸ SCN3A Q9NY46 1/20 0.56
▸ POLB P06746 1/20 0.48

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
SCHEMBL3249738 0.91 SCN9A (0.74) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3246065 0.88 SCN9A (0.72) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3248196 0.87 SCN9A (0.74) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3242009 0.87 SCN9A (0.65) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3128028 0.85 SCN9A (0.68) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3125400 0.85 SCN9A (0.63) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3236433 0.85 SCN9A (0.62) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3235133 0.85 SCN9A (0.62) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3249250 0.84 SCN9A (0.70) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3246944 0.84 SCN9A (0.85) SCN9ASCN5AKCNH2SCN4ASCN3A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 — — WO claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 — — WO disclosed
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