SCHEMBL3249630

SCHEMBL3249630

N#Cc1ccc(C2CCN(c3ncnc(Nc4cccc(NC(=O)[C@H]5CCC(=O)N5)c4)n3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 18/20 0.65
▸ EGFR P00533 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ KCNH2 Q12809 1/20 0.43
▸ SCN5A Q14524 1/20 0.43

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
SCHEMBL3128619 1.00 SCN9A (0.65) SCN9AEGFRTP53KCNH2SCN5A
SCHEMBL3128134 0.85 SCN9A (0.80) SCN9AKCNH2SCN5A
SCHEMBL3247236 0.83 SCN9A (0.66) SCN9ATP53
SCHEMBL3241270 0.82 SCN9A (0.71) SCN9A
SCHEMBL3233208 0.80 SCN9A (0.69) SCN9A
SCHEMBL3240625 0.80 SCN9A (0.69) SCN9A
SCHEMBL3243808 0.80 SCN9A (0.69) SCN9AKCNH2SCN5A
SCHEMBL3126617 0.79 SCN9A (0.73) SCN9AKCNH2SCN5A
SCHEMBL17722185 0.79 SCN9A (1.00) SCN9A
SCHEMBL3243811 0.77 SCN9A (0.69) 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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