SCHEMBL23913384

SCHEMBL23913384

[O-][S+](Nc1nccs1)c1cc(Cl)c(NCC2CCC(O)CC2)cc1F

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 14/20 0.63
SCN9A Q15858 8/20 0.51
CYP3A4 P08684 7/20 0.51

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
SCHEMBL20115587 0.87 SCN9A (0.63) SCN5ASCN9ACYP3A4
SCHEMBL20115778 0.84 SCN5A (0.54) SCN5ASCN9ACYP3A4
SCHEMBL23913154 0.84 SCN5A (0.65) SCN5ASCN9ACYP3A4
SCHEMBL20115593 0.81 SCN5A (0.46) SCN5ASCN9ACYP3A4
SCHEMBL20115542 0.81 SCN5A (0.65) SCN5ASCN9ACYP3A4
SCHEMBL20115553 0.80 CYP3A4 (0.64) SCN5ASCN9ACYP3A4
SCHEMBL20115628 0.79 SCN9A (0.66) SCN5ASCN9ACYP3A4
SCHEMBL20115636 0.79 SCN5A (0.65) SCN5ASCN9ACYP3A4
SCHEMBL23913399 0.78 SCN9A (0.65) SCN5ASCN9ACYP3A4
SCHEMBL22592995 0.78 SCN9A (0.43) SCN5ASCN9ACYP3A4

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-3532462-B1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed