SCHEMBL4793353

SCHEMBL4793353

CNC(=O)[C@@H](NCc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.66
EDNRB P24530 4/20 0.66

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
SCHEMBL4793356 0.90 EDNRA (0.66) EDNRAEDNRB
SCHEMBL6942794 0.88 EDNRB (0.67) EDNRAEDNRB
SCHEMBL5524119 0.83 EDNRB (0.67) EDNRAEDNRB
SCHEMBL7552664 0.82 EDNRB (0.61) EDNRAEDNRB
SCHEMBL4773118 0.82 EDNRA (0.59) EDNRAEDNRB
SCHEMBL4771724 0.82 EDNRB (0.60) EDNRAEDNRB
SCHEMBL4771630 0.81 EDNRA (0.59) EDNRAEDNRB
SCHEMBL4773287 0.81 EDNRB (0.64) EDNRAEDNRB
SCHEMBL5531221 0.81 EDNRB (0.61) EDNRAEDNRB
SCHEMBL4774828 0.81 EDNRB (0.59) 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 disclosed