SCHEMBL2127035

SCHEMBL2127035

CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2C(c2ccc(NC(=S)CCCCC[N+]34CCC(CC3)CC4)cc2)N1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 20/20 0.46

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
Bromide SCHEMBL347270 0.99 SLC10A2 (0.46) SLC10A2
SCHEMBL2130067 0.93 SLC10A2 (0.47) SLC10A2
Bromide SCHEMBL348714 0.92 SLC10A2 (0.48) SLC10A2
SCHEMBL2126388 0.91 SLC10A2 (0.45) SLC10A2
Bromide SCHEMBL349526 0.90 SLC10A2 (0.46) SLC10A2
Bromide SCHEMBL348859 0.90 SLC10A2 (0.46) SLC10A2
Bromide SCHEMBL349918 0.90 SLC10A2 (0.47) SLC10A2
Bromide SCHEMBL347017 0.89 SLC10A2 (0.46) SLC10A2
SCHEMBL2127467 0.89 SLC10A2 (0.44) SLC10A2
Bromide SCHEMBL347651 0.88 SLC10A2 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719768-B1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2012-04-25 EP disclosed
EP-1719768-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2006-11-08 EP disclosed