SCHEMBL4764929

SCHEMBL4764929

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

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.59
EDNRA P25101 2/20 0.59

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
SCHEMBL4792865 0.96 EDNRA (0.57) EDNRBEDNRA
SCHEMBL4766273 0.94 EDNRB (0.61) EDNRBEDNRA
SCHEMBL4767655 0.93 EDNRB (0.57) EDNRBEDNRA
SCHEMBL4769531 0.92 EDNRB (0.63) EDNRBEDNRA
SCHEMBL4771348 0.91 EDNRB (0.59) EDNRBEDNRA
SCHEMBL4766190 0.89 EDNRA (0.59) EDNRBEDNRA
SCHEMBL4771034 0.88 EDNRA (0.57) EDNRBEDNRA
SCHEMBL6539183 0.88 EDNRA (0.56) EDNRBEDNRA
SCHEMBL5536203 0.86 EDNRA (0.59) EDNRBEDNRA
SCHEMBL4774452 0.86 EDNRB (0.60) 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 3 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
EP-1741713-A2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed