SCHEMBL3250808

SCHEMBL3250808

COc1cc(C#N)ccc1O[C@H]1CCCN(c2ncnc(Nc3cccc(NC(C)=O)c3)n2)C1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 0.56
▸ KCNH2 Q12809 1/20 0.49
▸ SCN5A Q14524 1/20 0.49
▸ DGAT2 Q96PD7 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
SCHEMBL3250803 1.00 SCN9A (0.56) SCN9AKCNH2SCN5ADGAT2
SCHEMBL3245295 0.90 SCN9A (0.59) SCN9AKCNH2SCN5A
SCHEMBL31550522 0.90 SCN9A (0.59) SCN9AKCNH2SCN5A
SCHEMBL3245283 0.90 SCN9A (0.59) SCN9AKCNH2SCN5A
SCHEMBL3255035 0.87 SCN9A (0.61) SCN9AKCNH2SCN5A
SCHEMBL3255041 0.87 SCN9A (0.61) SCN9AKCNH2SCN5A
SCHEMBL3242323 0.80 SCN9A (0.65) SCN9AKCNH2SCN5A
SCHEMBL3247903 0.80 SCN9A (0.69) SCN9AKCNH2SCN5A
SCHEMBL3247909 0.80 SCN9A (0.69) SCN9AKCNH2SCN5A
SCHEMBL3130293 0.80 SCN9A (0.79) 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 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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