SCHEMBL5535975

SCHEMBL5535975

CNC(=O)[C@H](C(C)C)N(Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)cc1)C(=O)C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.41
EDNRB P24530 2/20 0.41
NPSR1 Q6W5P4 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL4767073 0.98 EDNRA (0.41) EDNRAEDNRB
SCHEMBL4773521 0.97 EDNRA (0.42) EDNRAEDNRB
SCHEMBL4771828 0.91 EDNRA (0.40) EDNRAEDNRB
SCHEMBL6540874 0.91 EDNRA (0.40) EDNRAEDNRB
SCHEMBL27541656 0.91 NPSR1 (0.39) EDNRAEDNRBNPSR1
SCHEMBL27542953 0.89 EDNRA (0.38) EDNRAEDNRBNPSR1
SCHEMBL4769995 0.88 EDNRA (0.43) EDNRAEDNRB
SCHEMBL5531581 0.88 EDNRA (0.45) EDNRAEDNRB
SCHEMBL4769166 0.87 EDNRA (0.44) EDNRAEDNRB
SCHEMBL14414785 0.87 EDNRA (0.38) EDNRAEDNRBNPSR1OPRM1OPRK1

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