SCHEMBL20182514

SCHEMBL20182514

C[C@@H](N)CNCCCCCNc1cc(F)c(SNc2nccs2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.41
SCN1A P35498 6/20 0.41
SCN5A Q14524 12/20 0.38
CYP3A4 P08684 6/20 0.38
SCN8A Q9UQD0 5/20 0.35

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
SCHEMBL25974056 0.99 SCN9A (0.41) SCN9ASCN1ASCN5ACYP3A4SCN8A
SCHEMBL25973076 0.88 SCN9A (0.45) SCN9ASCN1ASCN5ACYP3A4
SCHEMBL22368315 0.87 SCN9A (0.44) SCN9ASCN1ASCN5ACYP3A4
SCHEMBL19008515 0.86 SCN9A (0.41) SCN9ASCN1ASCN5ACYP3A4
SCHEMBL19008517 0.86 SCN9A (0.41) SCN9ASCN1ASCN5ACYP3A4
SCHEMBL19000751 0.85 SCN5A (0.42) SCN9ASCN1ASCN5ACYP3A4
SCHEMBL25974417 0.85 SCN9A (0.39) SCN9ASCN1ASCN5ACYP3A4SCN8A
SCHEMBL25973372 0.85 SCN9A (0.43) SCN9ASCN1ASCN5ACYP3A4
SCHEMBL25972987 0.85 SCN9A (0.43) SCN9ASCN1ASCN5ACYP3A4SCN8A
SCHEMBL19000632 0.85 SCN9A (0.42) SCN9ASCN1ASCN5ACYP3A4

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