SCHEMBL3245790

SCHEMBL3245790

CC(=O)Nc1cccc(Nc2ncnc(N3CCN(c4ccccc4C)CC3)n2)c1C

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 0.70
▸ KCNH2 Q12809 4/20 0.60
▸ SCN5A Q14524 4/20 0.59
▸ SCN4A P35499 1/20 0.55
▸ SCN3A Q9NY46 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL3245253 0.91 SCN9A (0.69) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3247098 0.90 SCN9A (0.68) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3118278 0.89 SCN9A (0.64) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3246404 0.89 SCN9A (0.66) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3118012 0.89 SCN9A (0.66) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3248779 0.89 SCN9A (0.66) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3249971 0.87 SCN9A (0.64) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3245660 0.87 SCN9A (0.64) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3245501 0.85 SCN9A (0.69) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3254123 0.84 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
Send feedback