SCHEMBL3244979

SCHEMBL3244979

CC(=O)Nc1cccc(Nc2ncnc(N3CCN(c4cccc(C)c4C)CC3)n2)c1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 0.73
▸ KCNH2 Q12809 1/20 0.63
▸ SCN5A Q14524 1/20 0.63
▸ MEN1 O00255 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL3236267 0.93 SCN9A (0.73) SCN9AKCNH2SCN5A
SCHEMBL3239668 0.87 SCN9A (0.64) SCN9AKCNH2SCN5A
SCHEMBL3121899 0.87 SCN9A (0.64) SCN9AKCNH2SCN5AMEN1GAA
SCHEMBL3124483 0.87 SCN9A (0.68) SCN9AKCNH2SCN5A
SCHEMBL3120681 0.87 SCN9A (0.68) SCN9AKCNH2SCN5A
SCHEMBL3250021 0.86 SCN9A (0.67) SCN9AKCNH2SCN5A
SCHEMBL3234165 0.86 SCN9A (0.73) SCN9AKCNH2SCN5A
SCHEMBL3240493 0.85 SCN9A (0.64) SCN9AKCNH2SCN5A
SCHEMBL17722120 0.85 SCN9A (1.00) SCN9A
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 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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