SCHEMBL20115772

SCHEMBL20115772

Fc1cc(NCC2CCCCO2)c(Cl)cc1SNc1nccs1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 19/20 0.67
CYP3A4 P08684 6/20 0.49
SCN9A Q15858 3/20 0.49

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
SCHEMBL20115725 0.97 SCN5A (0.66) SCN5ACYP3A4SCN9A
SCHEMBL20115783 0.88 SCN5A (0.64) SCN5ACYP3A4SCN9A
SCHEMBL23913168 0.87 SCN5A (0.67) SCN5ACYP3A4SCN9A
SCHEMBL20115716 0.85 CYP3A4 (0.68) SCN5ACYP3A4SCN9A
SCHEMBL20115721 0.84 SCN5A (0.65) SCN5ACYP3A4SCN9A
SCHEMBL20115550 0.83 SCN5A (0.67) SCN5ACYP3A4SCN9A
SCHEMBL20115781 0.82 SCN5A (0.66) SCN5ACYP3A4SCN9A
SCHEMBL20115636 0.82 SCN5A (0.65) SCN5ACYP3A4SCN9A
SCHEMBL23913155 0.80 SCN5A (0.54) SCN5ACYP3A4SCN9A
SCHEMBL20115622 0.80 SCN5A (0.65) SCN5ACYP3A4SCN9A

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