SCHEMBL3123521

SCHEMBL3123521

CC(=O)Nc1ccc(Nc2ncnc(N3CCC(c4ccc(C#N)cc4)CC3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 18/20 0.67
▸ RAD52 P43351 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ KCNH2 Q12809 1/20 0.45
▸ SCN5A Q14524 1/20 0.45
▸ FASN P49327 1/20 0.44

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
SCHEMBL3128134 0.91 SCN9A (0.80) SCN9AKCNH2SCN5A
SCHEMBL3243879 0.89 SCN9A (0.65) SCN9AFASN
SCHEMBL3126757 0.89 SCN9A (0.65) SCN9AKCNH2FASN
SCHEMBL3250195 0.88 SCN9A (0.64) SCN9AFASN
SCHEMBL3242875 0.88 SCN9A (0.64) SCN9AFASN
SCHEMBL3243854 0.85 SCN9A (0.80) SCN9AKCNH2SCN5AFASN
SCHEMBL3130490 0.84 SCN9A (0.66) SCN9AKCNH2SCN5AFASN
SCHEMBL3243808 0.82 SCN9A (0.69) SCN9AKCNH2SCN5A
SCHEMBL3241270 0.81 SCN9A (0.71) SCN9A
SCHEMBL3243811 0.81 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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