SCHEMBL17528459

SCHEMBL17528459

CCCC[C@@H]1CS(=O)(=O)c2cc(C=O)c(OC)cc2[C@@H](c2ccccc2)N1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 20/20 0.53

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
SCHEMBL18748574 0.91 SLC10A2 (0.58) SLC10A2
SCHEMBL22544383 0.87 SLC10A2 (0.50) SLC10A2
SCHEMBL1387331 0.84 SLC10A2 (0.48) SLC10A2
SCHEMBL9961460 0.84 SLC10A2 (0.48) SLC10A2
SCHEMBL20169922 0.82 SLC10A2 (0.49) SLC10A2
SCHEMBL17528460 0.82 SLC10A2 (0.49) SLC10A2
SCHEMBL13334816 0.80 SLC10A2 (0.54) SLC10A2
SCHEMBL12176828 0.79 SLC10A2 (0.79) SLC10A2
SCHEMBL22544235 0.78 SLC10A2 (0.69) SLC10A2
SCHEMBL20169920 0.78 SLC10A2 (0.69) SLC10A2

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-2016020785-A1 SYNTHESIS OF BENZOTHIAZEPINES GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-02-11 WO disclosed