SCHEMBL3246685

SCHEMBL3246685

CC(=O)Nc1cccc(Nc2ncnc(N3CCC(N4CCC(c5ccccc5)C4)CC3)n2)c1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.83
▸ KCNH2 Q12809 1/20 0.58
▸ SCN5A Q14524 1/20 0.58

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
SCHEMBL3246693 1.00 SCN9A (0.83) SCN9AKCNH2SCN5A
SCHEMBL3240538 0.91 SCN9A (1.00) SCN9AKCNH2SCN5A
SCHEMBL3125761 0.83 SCN9A (0.84) SCN9AKCNH2SCN5A
SCHEMBL3122014 0.83 SCN9A (0.84) SCN9AKCNH2SCN5A
SCHEMBL3247315 0.82 SCN9A (0.79) SCN9AKCNH2SCN5A
SCHEMBL3247167 0.82 SCN9A (0.81) SCN9AKCNH2SCN5A
SCHEMBL3240604 0.82 SCN9A (0.78) SCN9AKCNH2SCN5A
SCHEMBL3128134 0.81 SCN9A (0.80) SCN9AKCNH2SCN5A
SCHEMBL3121492 0.81 SCN9A (0.77) SCN9AKCNH2SCN5A
SCHEMBL3244864 0.80 SCN9A (0.78) SCN9AKCNH2SCN5A

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