SCHEMBL14380523

SCHEMBL14380523

COc1cnc(OCCOc2ncnc(NS(=O)(=O)NC3CCCC3)c2-c2ccc(Br)cc2)nc1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.79
EDNRB P24530 17/20 0.79
SLC6A2 P23975 1/20 0.60
TSPO P30536 1/20 0.60
DRD3 P35462 1/20 0.60

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
SCHEMBL14380483 0.96 EDNRA (0.84) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380525 0.92 EDNRA (0.93) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380511 0.91 EDNRA (0.65) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380478 0.88 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380517 0.88 EDNRA (0.70) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380527 0.86 EDNRA (0.85) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380510 0.86 EDNRA (0.81) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380479 0.85 EDNRB (0.83) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380521 0.83 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL8351145 0.83 EDNRA (0.86) 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