SCHEMBL3240908

SCHEMBL3240908

CC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccccc4)CC3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 1.00
KCNH2 Q12809 2/20 0.66
SCN5A Q14524 2/20 0.61
SCN4A P35499 1/20 0.60
SCN3A Q9NY46 1/20 0.60

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
SCHEMBL3126238 0.92 SCN9A (0.86) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3247797 0.92 SCN9A (0.84) SCN9AKCNH2SCN5A
SCHEMBL3246681 0.91 SCN9A (0.84) SCN9AKCNH2SCN5A
SCHEMBL3246867 0.91 SCN9A (0.84) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3241927 0.91 SCN9A (0.83) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3116482 0.91 SCN9A (0.83) SCN9AKCNH2SCN5A
SCHEMBL3241429 0.91 SCN9A (0.83) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3239402 0.90 SCN9A (0.81) SCN9AKCNH2SCN5A
SCHEMBL3243712 0.90 SCN9A (0.81) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3248341 0.90 SCN9A (0.81) 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