SCHEMBL3251032

SCHEMBL3251032

COc1ccccc1N1CCN(c2ncnc(Nc3cccc(NC(C)=O)c3)n2)CC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 17/20 0.65
▸ KCNH2 Q12809 1/20 0.64
▸ SCN5A Q14524 1/20 0.64
▸ PAK1 Q13153 1/20 0.53
▸ MAPT P10636 2/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL3243970 0.91 SCN9A (0.63) SCN9AKCNH2SCN5AMAPT
SCHEMBL3127431 0.89 SCN9A (0.59) SCN9AKCNH2SCN5APAK1
SCHEMBL3129208 0.89 SCN9A (0.76) SCN9AKCNH2SCN5A
SCHEMBL3124483 0.87 SCN9A (0.68) SCN9AKCNH2SCN5A
SCHEMBL3236267 0.87 SCN9A (0.73) SCN9AKCNH2SCN5A
SCHEMBL3120681 0.87 SCN9A (0.68) SCN9AKCNH2SCN5A
SCHEMBL3234165 0.87 SCN9A (0.73) SCN9AKCNH2SCN5A
SCHEMBL3250021 0.87 SCN9A (0.67) SCN9AKCNH2SCN5A
SCHEMBL3130293 0.85 SCN9A (0.79) SCN9AKCNH2SCN5A
SCHEMBL3245242 0.85 SCN9A (0.65) 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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