SCHEMBL4793445

SCHEMBL4793445

CN[C@@H](CC(C)C)C(=O)N(Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1)C(=O)CC(C)C

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.63
EDNRA P25101 3/20 0.63

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
SCHEMBL4769913 0.85 EDNRB (0.63) EDNRBEDNRA
SCHEMBL5524119 0.82 EDNRB (0.67) EDNRBEDNRA
SCHEMBL4773287 0.81 EDNRB (0.64) EDNRBEDNRA
SCHEMBL4769965 0.80 EDNRB (0.61) EDNRBEDNRA
SCHEMBL4774452 0.79 EDNRB (0.60) EDNRBEDNRA
SCHEMBL6942794 0.79 EDNRB (0.67) EDNRBEDNRA
SCHEMBL4767062 0.79 EDNRB (0.61) EDNRBEDNRA
SCHEMBL4767070 0.79 EDNRB (0.61) EDNRBEDNRA
SCHEMBL4771556 0.79 EDNRB (0.59) EDNRBEDNRA
SCHEMBL6778007 0.79 EDNRA (1.00) 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 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 disclosed