SCHEMBL3246404

SCHEMBL3246404

COc1ccccc1N1CCN(c2ncnc(Nc3cccc(NC(C)=O)c3C)n2)CC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 18/20 0.66
▸ KCNH2 Q12809 4/20 0.59
▸ SCN5A Q14524 4/20 0.57
▸ SCN4A P35499 1/20 0.54
▸ SCN3A Q9NY46 1/20 0.54
▸ PTK2 Q05397 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
SCHEMBL3245660 0.91 SCN9A (0.64) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3245790 0.89 SCN9A (0.70) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3245253 0.88 SCN9A (0.69) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3247098 0.87 SCN9A (0.68) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3248779 0.85 SCN9A (0.66) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3118012 0.85 SCN9A (0.66) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3249971 0.84 SCN9A (0.64) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3125524 0.84 SCN9A (0.66) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3251032 0.84 SCN9A (0.65) SCN9AKCNH2SCN5A
SCHEMBL3128028 0.83 SCN9A (0.68) 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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