SCHEMBL23913399

SCHEMBL23913399

CN1CCC(CCNc2cc(F)c([S+]([O-])Nc3nccs3)cc2Cl)CC1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.65
CYP3A4 P08684 10/20 0.65
SCN5A Q14524 8/20 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
SCHEMBL20115553 0.86 CYP3A4 (0.64) SCN9ACYP3A4SCN5A
SCHEMBL20115628 0.85 SCN9A (0.66) SCN9ACYP3A4SCN5A
SCHEMBL23913356 0.82 SCN9A (0.66) SCN9ACYP3A4SCN5A
SCHEMBL22592995 0.81 SCN9A (0.43) SCN9ACYP3A4SCN5A
SCHEMBL20115586 0.80 SCN9A (0.67) SCN9ACYP3A4SCN5A
SCHEMBL25974476 0.80 SCN9A (0.42) SCN9ACYP3A4SCN5A
SCHEMBL30479374 0.79 SCN9A (1.00) SCN9ACYP3A4SCN5A
SCHEMBL20115585 0.79 SCN9A (1.00) SCN9ACYP3A4SCN5A
SCHEMBL20115587 0.79 SCN9A (0.63) SCN9ACYP3A4SCN5A
SCHEMBL19000629 0.79 SCN9A (0.44) SCN9ACYP3A4SCN5A

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