SCHEMBL3244478

SCHEMBL3244478

CC(=O)Nc1cc(Nc2ncnc(N3CC=C(c4ccccc4OC(F)(F)F)CC3)n2)ccc1C

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.54
▸ SCN5A Q14524 3/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ SCN4A P35499 1/20 0.43
▸ SCN3A Q9NY46 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
SCHEMBL3236643 0.87 SCN9A (0.60) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3249796 0.79 SCN9A (0.66) SCN9ASCN5AKCNH2
SCHEMBL3243244 0.79 SCN9A (0.53) SCN9ASCN5AKCNH2
SCHEMBL3251227 0.78 SCN9A (0.67) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3247193 0.77 SCN9A (0.54) SCN9ASCN5AKCNH2
SCHEMBL3249851 0.76 SCN9A (0.60) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3244151 0.75 SCN9A (0.70) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3244971 0.75 SCN9A (0.63) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3244935 0.75 SCN9A (0.59) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3254123 0.74 SCN9A (0.65) SCN9ASCN5AKCNH2

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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