SCHEMBL14380480

SCHEMBL14380480

CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3ccncc3)c2-c2ccc(Br)cc2)nc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.78
EDNRA P25101 20/20 0.78
SLC6A2 P23975 1/20 0.63
TSPO P30536 1/20 0.63
DRD3 P35462 1/20 0.63

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
SCHEMBL14380766 0.92 EDNRB (0.84) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14380492 0.92 EDNRA (0.78) EDNRBEDNRA
SCHEMBL14380477 0.91 EDNRA (0.84) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14380476 0.91 EDNRB (0.75) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14380481 0.89 EDNRA (0.75) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14380767 0.88 EDNRA (1.00) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14380474 0.87 EDNRB (0.76) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14380524 0.86 EDNRA (1.00) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14380498 0.86 EDNRB (0.75) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14380528 0.86 EDNRB (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 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