SCHEMBL4764837

SCHEMBL4764837

CCC(=O)N(C)[C@H](C(=O)NCc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)cc1)[C@@H](C)CC

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.44
EDNRB P24530 2/20 0.44

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
SCHEMBL4775410 0.88 EDNRB (0.59) EDNRAEDNRB
SCHEMBL5532181 0.86 EDNRA (0.43) EDNRAEDNRB
SCHEMBL5536621 0.85 EDNRA (0.45) EDNRAEDNRB
SCHEMBL5528401 0.83 EDNRA (0.43) EDNRAEDNRB
SCHEMBL4774519 0.83 EDNRA (0.43) EDNRAEDNRB
SCHEMBL4774524 0.83 EDNRA (0.43) EDNRAEDNRB
SCHEMBL5526220 0.82 EDNRA (0.44) EDNRAEDNRB
SCHEMBL4771034 0.82 EDNRA (0.57) EDNRAEDNRB
SCHEMBL4771918 0.82 EDNRB (0.61) EDNRAEDNRB
SCHEMBL6539513 0.81 EDNRA (0.46) EDNRAEDNRB

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-2002837-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-17 EP claimed