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Sugi Predict / Compounds / SCHEMBL16449072

SCHEMBL16449072

SCHEMBL16449072

C[C@@H]1C[C@H]1c1cc(C(=O)NS(=O)(=O)N2CCC2)c(F)cc1OCC12CC3CC(CC(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 1.00
▸ SCN7A Q01118 3/20 0.81
▸ SCN5A Q14524 3/20 0.81
▸ SCN2B O60939 1/20 0.81
▸ SCN1A P35498 1/20 0.81
▸ SCN4A P35499 1/20 0.81
▸ SCN1B Q07699 1/20 0.81
▸ SCN2A Q99250 1/20 0.81
▸ SCN8A Q9UQD0 1/20 0.81

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
SCHEMBL16448586 1.00 SCN9A (1.00) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL16348599 0.89 SCN9A (1.00) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL16448576 0.89 SCN9A (1.00) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL15535580 0.89 SCN9A (0.95) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL15536463 0.88 SCN9A (1.00) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL15536324 0.87 SCN9A (1.00) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL16389235 0.86 SCN9A (1.00) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL15535717 0.86 SCN9A (1.00) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL15536842 0.85 SCN9A (1.00) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL15536841 0.85 SCN9A (1.00) SCN9ASCN7ASCN5ASCN2BSCN1A

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 1 patent. 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