SCHEMBL19789745

SCHEMBL19789745

CCCC[C@@]1(CC)C[C@H](c2cccc(N)c2)c2cc(N(C)C)ccc2[S+]([O-])C1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 20/20 0.45

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
SCHEMBL19789661 0.79 SLC10A2 (0.62) SLC10A2
SCHEMBL19789582 0.78 SLC10A2 (0.65) SLC10A2
SCHEMBL19789736 0.78 SLC10A2 (0.65) SLC10A2
SCHEMBL19789743 0.70 SLC10A2 (0.48) SLC10A2
SCHEMBL9961477 0.69 SLC10A2 (0.61) SLC10A2
SCHEMBL21085599 0.69 SLC10A2 (0.61) SLC10A2
SCHEMBL18748192 0.68 ALDH1A1 (0.32) SLC10A2
SCHEMBL24437465 0.67 SLC10A2 (0.43) SLC10A2
SCHEMBL18750559 0.67 SLC10A2 (0.63) SLC10A2
SCHEMBL347797 0.66 SLC10A2 (0.65) 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
EP-2282991-B1 METHOD FOR THE PRODUCTION OF 1,4-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES SANOFI AVENTIS DEUTSCHLAND (DE) 2018-01-24 EP disclosed