SCHEMBL3245350

SCHEMBL3245350

COc1cccc2c1CCN(c1ncnc(Nc3cccc(NC(C)=O)c3)n1)C2

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.76
▸ KCNH2 Q12809 1/20 0.75
▸ SCN5A Q14524 1/20 0.75

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
SCHEMBL3241250 0.93 SCN9A (0.76) SCN9AKCNH2SCN5A
SCHEMBL3250272 0.90 SCN9A (0.71) SCN9AKCNH2SCN5A
SCHEMBL3243589 0.89 SCN9A (0.74) SCN9AKCNH2SCN5A
SCHEMBL3236612 0.88 SCN9A (0.79) SCN9AKCNH2SCN5A
SCHEMBL3243430 0.88 SCN9A (0.78) SCN9AKCNH2SCN5A
SCHEMBL3247724 0.88 SCN9A (0.78) SCN9AKCNH2SCN5A
SCHEMBL3238175 0.88 SCN9A (0.78) SCN9AKCNH2SCN5A
SCHEMBL3247974 0.87 SCN9A (0.71) SCN9AKCNH2SCN5A
SCHEMBL3247304 0.87 SCN9A (0.77) SCN9AKCNH2SCN5A
SCHEMBL17722060 0.86 SCN9A (1.00) SCN9A

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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