SCHEMBL5501326

SCHEMBL5501326

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

nearest known ligand 0.89

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 10/20 0.89
EDNRA P25101 9/20 0.89
SLC6A2 P23975 1/20 0.67
TSPO P30536 1/20 0.67
DRD3 P35462 1/20 0.67

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
SCHEMBL5494210 0.94 EDNRA (1.00) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL5497129 0.93 EDNRB (0.76) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL5497920 0.91 EDNRA (0.87) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14289232 0.89 EDNRB (0.71) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14289231 0.89 EDNRB (0.70) EDNRBEDNRA
SCHEMBL4068362 0.88 EDNRB (0.75) EDNRBEDNRA
SCHEMBL5097931 0.88 EDNRB (0.72) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL5500351 0.87 EDNRA (0.86) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL19569156 0.87 EDNRA (0.89) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL5632235 0.85 EDNRB (0.74) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465875-B1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-12-19 EP claimed
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