SCHEMBL5501162

SCHEMBL5501162

CCS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Cl)cc1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 16/20 0.80
EDNRB P24530 15/20 0.78
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
SCHEMBL5497920 0.93 EDNRA (0.87) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL5500351 0.93 EDNRA (0.86) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL5497129 0.91 EDNRB (0.76) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380520 0.89 EDNRA (0.86) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380529 0.88 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL5494210 0.86 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL5501326 0.84 EDNRB (0.89) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL31266904 0.83 EDNRA (0.80) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL5101990 0.83 EDNRA (0.80) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL4067030 0.83 EDNRA (0.63) EDNRAEDNRBSLC6A2TSPODRD3

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