SCHEMBL3247381

SCHEMBL3247381

CC(=O)Nc1cccc(Nc2ncnc(N3CCN(c4ccc(O)cc4)CC3)n2)c1C

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.67
▸ KCNH2 Q12809 4/20 0.63
▸ SCN5A Q14524 4/20 0.59
▸ SCN4A P35499 1/20 0.57
▸ SCN3A Q9NY46 1/20 0.57

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
SCHEMBL3249250 0.91 SCN9A (0.70) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3246329 0.91 SCN9A (0.66) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3125524 0.89 SCN9A (0.66) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3249738 0.89 SCN9A (0.74) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3254098 0.89 SCN9A (0.63) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3123304 0.88 SCN9A (0.64) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3125400 0.87 SCN9A (0.63) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3250903 0.87 SCN9A (0.63) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3242009 0.86 SCN9A (0.65) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3235133 0.86 SCN9A (0.62) SCN9AKCNH2SCN5ASCN4ASCN3A

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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