SCHEMBL5525843

SCHEMBL5525843

Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(C[N+](C)(CC3CCC3)[C@H](C(N)=O)C(C)C)cc2)c1C

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.58
EDNRA P25101 4/20 0.58

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
SCHEMBL4770975 0.87 EDNRB (0.57) EDNRBEDNRA
SCHEMBL4767123 0.85 EDNRB (0.59) EDNRBEDNRA
SCHEMBL7552668 0.84 EDNRB (0.61) EDNRBEDNRA
SCHEMBL4771729 0.84 EDNRA (0.60) EDNRBEDNRA
SCHEMBL4773291 0.83 EDNRB (0.62) EDNRBEDNRA
SCHEMBL4771635 0.82 EDNRA (0.59) EDNRBEDNRA
SCHEMBL4774831 0.82 EDNRB (0.59) EDNRBEDNRA
SCHEMBL4773256 0.81 EDNRA (0.57) EDNRBEDNRA
SCHEMBL4770938 0.81 EDNRA (0.57) EDNRBEDNRA
SCHEMBL4773519 0.81 EDNRA (0.57) 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-1741713-A2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed