SCHEMBL20182630

SCHEMBL20182630

Fc1cc(NCCCCN2C[C@H]3CNCC[C@H]3C2)c(Cl)cc1SNc1nccs1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.48
CYP3A4 P08684 12/20 0.48
SCN1A P35498 1/20 0.43
SCN5A Q14524 7/20 0.40

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
SCHEMBL26761547 0.86 SCN9A (0.45) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL20167423 0.84 SCN9A (0.69) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL30626723 0.84 SCN9A (0.69) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL20182506 0.84 SCN9A (0.44) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL19000747 0.84 SCN9A (0.49) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL20182507 0.82 SCN9A (0.47) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL26761731 0.82 SCN9A (0.44) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL23913156 0.81 SCN9A (0.67) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL22368378 0.81 SCN9A (0.45) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL25974284 0.80 SCN9A (0.48) SCN9ACYP3A4SCN1ASCN5A

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-3541373-B1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
WO-2018093694-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO disclosed