SCHEMBL20115642

SCHEMBL20115642

Fc1cc(NCCC2CCCCN2)c(Cl)cc1SNc1nccs1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.68
CYP3A4 P08684 10/20 0.68
SCN1A P35498 1/20 0.51
SCN5A Q14524 9/20 0.46

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
SCHEMBL19001234 0.91 SCN9A (0.60) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL25974852 0.89 SCN9A (0.66) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL20182512 0.88 SCN9A (0.65) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL25974872 0.86 SCN9A (0.69) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL25972995 0.86 SCN9A (0.69) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL23913155 0.86 SCN5A (0.54) SCN9ACYP3A4SCN5A
SCHEMBL20115767 0.83 SCN9A (0.68) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL23913156 0.83 SCN9A (0.67) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL20115783 0.81 SCN5A (0.64) SCN9ACYP3A4SCN5A
SCHEMBL20115586 0.81 SCN9A (0.67) 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
WO-2018081384-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-03 WO disclosed