SCHEMBL14380528

SCHEMBL14380528

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 1.00
EDNRA P25101 19/20 1.00
SLC6A2 P23975 1/20 0.66
TSPO P30536 1/20 0.66
DRD3 P35462 1/20 0.66

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 0.91 EDNRA (1.00) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14380767 0.91 EDNRA (1.00) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14380518 0.90 EDNRA (1.00) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14380524 0.89 EDNRA (1.00) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14380479 0.88 EDNRB (0.83) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL8351979 0.88 EDNRA (1.00) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14380508 0.87 EDNRA (1.00) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14380527 0.87 EDNRA (0.85) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14380769 0.87 EDNRA (0.79) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL14380766 0.87 EDNRB (0.84) 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