SCHEMBL20115736

SCHEMBL20115736

Fc1cc(N2CCCC(C3CCNCC3)C2)c(Cl)cc1SNc1nccs1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.35
CYP3A4 P08684 7/20 0.35
SCN8A Q9UQD0 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL20115792 0.90 SCN9A (0.36) SCN9ACYP3A4SCN8A
SCHEMBL20115734 0.81 SCN9A (0.56) SCN9ACYP3A4SCN8A
SCHEMBL20115569 0.80 SCN9A (0.41) SCN9ACYP3A4SCN8A
SCHEMBL20115793 0.77 SCN9A (0.37) SCN9ACYP3A4SCN8A
SCHEMBL19634095 0.74 SCN8A (0.43) SCN9ACYP3A4SCN8A
SCHEMBL20182630 0.71 SCN9A (0.48) SCN9ACYP3A4
SCHEMBL20115791 0.71 SCN9A (0.57) SCN9ACYP3A4SCN8A
SCHEMBL30479334 0.71 SCN9A (0.57) SCN9ACYP3A4SCN8A
SCHEMBL26761547 0.69 SCN9A (0.45) SCN9ACYP3A4
SCHEMBL20096055 0.68 SCN5A (0.50) SCN9ACYP3A4SCN8A

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
EP-3532462-B1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
WO-2018081384-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-03 WO disclosed