SCHEMBL14289232

SCHEMBL14289232

CCCS(=O)(=O)Nc1ncnc(OCCOc2ncc(OC)cn2)c1-c1ccc(C)cc1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.71
EDNRA P25101 10/20 0.71
SLC6A2 P23975 1/20 0.54
TSPO P30536 1/20 0.54
DRD3 P35462 1/20 0.54

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
SCHEMBL14289221 0.93 EDNRB (0.65) EDNRBEDNRA
SCHEMBL5501326 0.89 EDNRB (0.89) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14289231 0.88 EDNRB (0.70) EDNRBEDNRA
SCHEMBL5494210 0.83 EDNRA (1.00) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL5497129 0.82 EDNRB (0.76) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14362286 0.81 EDNRB (0.55) EDNRBEDNRA
SCHEMBL5497920 0.81 EDNRA (0.87) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14289220 0.80 EDNRB (0.68) EDNRBEDNRA
SCHEMBL14380531 0.79 EDNRA (0.83) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14380521 0.79 EDNRA (1.00) EDNRBEDNRASLC6A2TSPODRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323465-B2 Alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-29 US disclosed
US-7323465-B2 Alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-29 US disclosed
EP-1465875-B1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-12-19 EP disclosed