SCHEMBL3239221

SCHEMBL3239221

CC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccccc4)CC3)n2)c1F

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.82
▸ SCN5A Q14524 4/20 0.70
▸ KCNH2 Q12809 4/20 0.70
▸ SCN4A P35499 1/20 0.56
▸ SCN3A Q9NY46 1/20 0.56

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
SCHEMBL3126802 0.90 SCN9A (1.00) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3128377 0.88 SCN9A (0.67) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3131673 0.87 SCN9A (0.83) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3249699 0.87 SCN9A (0.65) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3244576 0.86 SCN9A (0.81) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3246714 0.86 SCN9A (0.85) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3241081 0.85 SCN9A (0.77) SCN9ASCN5AKCNH2
SCHEMBL3235659 0.85 SCN9A (0.75) SCN9ASCN5AKCNH2
SCHEMBL3124449 0.84 SCN9A (0.82) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3244204 0.83 SCN9A (0.81) 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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