SCHEMBL7553647

SCHEMBL7553647

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

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.59
EDNRB P24530 3/20 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
SCHEMBL4771908 0.95 EDNRA (0.57) EDNRAEDNRB
SCHEMBL4771630 0.93 EDNRA (0.59) EDNRAEDNRB
SCHEMBL5530777 0.92 EDNRA (0.59) EDNRAEDNRB
SCHEMBL7551497 0.91 EDNRA (0.54) EDNRAEDNRB
SCHEMBL5525827 0.91 EDNRA (0.54) EDNRAEDNRB
SCHEMBL5789581 0.90 EDNRA (0.56) EDNRAEDNRB
SCHEMBL4766229 0.90 EDNRA (0.59) EDNRAEDNRB
SCHEMBL4773576 0.90 EDNRA (0.55) EDNRAEDNRB
SCHEMBL5536203 0.89 EDNRA (0.59) EDNRAEDNRB
SCHEMBL5532211 0.89 EDNRA (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237888-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2002-09-11 EP claimed
WO-2001044239-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO claimed