SCHEMBL23677102

SCHEMBL23677102

N=S(=O)(NC(=O)c1cc(C2CC2)c(OCC2CC3CC4CCC2C(C4)C3)cc1F)N1CCC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.66
▸ SCN5A Q14524 5/20 0.66
▸ SCN7A Q01118 2/20 0.56
▸ SCN2B O60939 1/20 0.56
▸ SCN1A P35498 1/20 0.56
▸ SCN4A P35499 1/20 0.56
▸ SCN1B Q07699 1/20 0.56
▸ SCN2A Q99250 1/20 0.56
▸ SCN8A Q9UQD0 1/20 0.56

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
SCHEMBL19388956 0.87 SCN9A (0.77) SCN9ASCN5ASCN7A
SCHEMBL19427315 0.81 SCN9A (0.84) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL19388930 0.81 SCN9A (0.53) SCN9ASCN5A
SCHEMBL15536384 0.80 SCN9A (1.00) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL20697611 0.78 SCN9A (0.51) SCN9ASCN5ASCN7A
SCHEMBL20697710 0.77 SCN9A (0.48) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL20697829 0.76 SCN9A (0.52) SCN9ASCN5ASCN7A
SCHEMBL19388900 0.76 SCN9A (0.51) SCN9ASCN5ASCN7A
SCHEMBL15536764 0.75 SCN9A (1.00) SCN9ASCN5A
SCHEMBL19084140 0.74 SCN9A (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3854782-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2021-07-28 — — EP disclosed
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