SCHEMBL4766273

SCHEMBL4766273

CCC(=O)N(C)[C@@H](CC(C)C)C(=O)NCc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.61
EDNRA P25101 2/20 0.61

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
SCHEMBL4764929 0.94 EDNRB (0.59) EDNRBEDNRA
SCHEMBL4769531 0.94 EDNRB (0.63) EDNRBEDNRA
SCHEMBL4792865 0.93 EDNRA (0.57) EDNRBEDNRA
SCHEMBL4771348 0.92 EDNRB (0.59) EDNRBEDNRA
SCHEMBL4767655 0.91 EDNRB (0.57) EDNRBEDNRA
SCHEMBL4776135 0.89 EDNRB (0.60) EDNRBEDNRA
SCHEMBL4775410 0.88 EDNRB (0.59) EDNRBEDNRA
SCHEMBL4769965 0.85 EDNRB (0.61) EDNRBEDNRA
SCHEMBL5524119 0.84 EDNRB (0.67) EDNRBEDNRA
SCHEMBL4764814 0.84 EDNRB (0.64) EDNRBEDNRA

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