SCHEMBL6271127

SCHEMBL6271127

CCCCC1(CC)C(=O)SC2=C(C(=O)C(F)C=C2)C(c2ccccc2)C1O

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 18/20 0.35

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
SCHEMBL6618580 0.83 SLC10A2 (0.32) SLC10A2
SCHEMBL11784326 0.53 CNR2 (0.41)
SCHEMBL6827627 0.53 SLC10A2 (0.58) SLC10A2
SCHEMBL6823538 0.53 SLC10A2 (0.58) SLC10A2
SCHEMBL2654882 0.53 SLC10A2 (0.32) SLC10A2
SCHEMBL24515872 0.52 EDNRA (0.39)
SCHEMBL10745108 0.52 EDNRA (0.39)
SCHEMBL28931626 0.52 MEN1 (0.43)
SCHEMBL14560417 0.51 CNR2 (0.55)
SCHEMBL4307405 0.49 EDNRA (0.43)

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-1597245-A1 BENZOTHIAZEPINE AND BENZOTHIEPINE DERIVATIVES AstraZeneca AB (SE) 2005-11-23 EP disclosed
WO-2004076430-A1 BENZOTHIAZEPINE AND BENZOTHIEPINE DERIVATIVES ASTRAZENECA AB (SE) 2004-09-10 WO disclosed