SCHEMBL16448603

SCHEMBL16448603

O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCCC(F)(F)C2)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 1.00
▸ SCN5A Q14524 3/20 0.81
▸ SCN1A P35498 1/20 0.66
▸ SCN2A Q99250 1/20 0.66
▸ SCN8A Q9UQD0 1/20 0.66

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
SCHEMBL16448589 0.90 SCN9A (1.00) SCN9ASCN5A
SCHEMBL16435134 0.90 SCN9A (1.00) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL16448514 0.89 SCN9A (1.00) SCN9ASCN5A
SCHEMBL16448590 0.88 SCN9A (1.00) SCN9ASCN5A
SCHEMBL15536914 0.87 SCN9A (1.00) SCN9ASCN5A
SCHEMBL16448557 0.86 SCN9A (0.85) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL15536034 0.84 SCN9A (0.82) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL16448521 0.83 SCN9A (1.00) SCN9ASCN5A
SCHEMBL29304129 0.83 SCN9A (0.87) SCN9ASCN5A
SCHEMBL29304130 0.83 SCN9A (0.87) SCN9ASCN5A

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
US-8952169-B2 N-substituted benzamides and methods of use thereof XENON PHARMACEUTICALS INC. (CA) 2015-02-10 — — US disclosed
US-8952169-B2 N-substituted benzamides and methods of use thereof XENON PHARMACEUTICALS INC. (CA) 2015-02-10 — — US disclosed
Send feedback