SCHEMBL3121899

SCHEMBL3121899

CC(=O)Nc1cc(Nc2ncnc(N3CCN(c4cccc(C)c4C)CC3)n2)ccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 18/20 0.64
▸ KCNH2 Q12809 1/20 0.49
▸ SCN5A Q14524 1/20 0.49
▸ GAA P10253 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3241240 0.89 SCN9A (0.51) SCN9AKCNH2SCN5A
SCHEMBL3244979 0.87 SCN9A (0.73) SCN9AKCNH2SCN5AGAAMEN1
SCHEMBL3248840 0.87 SCN9A (0.63) SCN9AKCNH2SCN5A
SCHEMBL3241145 0.86 SCN9A (0.54) SCN9AKCNH2SCN5A
SCHEMBL3236527 0.85 SCN9A (0.66) SCN9AKCNH2SCN5A
SCHEMBL3254123 0.84 SCN9A (0.65) SCN9AKCNH2SCN5A
SCHEMBL3236280 0.84 SCN9A (0.76) SCN9AKCNH2SCN5AMAPT
SCHEMBL3246154 0.82 SCN9A (0.65) SCN9AKCNH2SCN5AGAAKMT2A
SCHEMBL3236267 0.81 SCN9A (0.73) SCN9AKCNH2SCN5A
SCHEMBL3124483 0.81 SCN9A (0.68) 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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