SCHEMBL20182506

SCHEMBL20182506

NCC1CN(CCCCNc2cc(F)c(SNc3nccs3)cc2Cl)C1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.44
CYP3A4 P08684 11/20 0.44
SCN5A Q14524 9/20 0.43
SCN1A P35498 1/20 0.41

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
SCHEMBL26761987 0.92 SCN9A (0.45) SCN9ACYP3A4SCN5ASCN1A
SCHEMBL20182507 0.86 SCN9A (0.47) SCN9ACYP3A4SCN5ASCN1A
SCHEMBL26761731 0.86 SCN9A (0.44) SCN9ACYP3A4SCN5ASCN1A
SCHEMBL19000751 0.85 SCN5A (0.42) SCN9ACYP3A4SCN5ASCN1A
SCHEMBL20182630 0.84 SCN9A (0.48) SCN9ACYP3A4SCN5ASCN1A
SCHEMBL25973076 0.83 SCN9A (0.45) SCN9ACYP3A4SCN5ASCN1A
SCHEMBL26761923 0.83 SCN9A (0.42) SCN9ACYP3A4SCN5ASCN1A
SCHEMBL22368315 0.82 SCN9A (0.44) SCN9ACYP3A4SCN5ASCN1A
SCHEMBL20167928 0.82 SCN9A (0.66) SCN9ACYP3A4SCN5ASCN1A
SCHEMBL19001187 0.81 SCN9A (0.42) SCN9ACYP3A4SCN5ASCN1A

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