SCHEMBL14380520

SCHEMBL14380520

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

nearest known ligand 0.86

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.86
EDNRB P24530 18/20 0.86
SLC6A2 P23975 1/20 0.68
TSPO P30536 1/20 0.68
DRD3 P35462 1/20 0.68

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
SCHEMBL9891388 0.93 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL5501162 0.89 EDNRA (0.80) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380529 0.89 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380518 0.88 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL5497920 0.86 EDNRA (0.87) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380527 0.85 EDNRA (0.85) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380510 0.85 EDNRA (0.81) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL5632084 0.85 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380528 0.84 EDNRB (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380491 0.84 EDNRA (0.85) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285549-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-23 US disclosed
US-7285549-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-23 US disclosed