SCHEMBL5536104

SCHEMBL5536104

CCCc1nc(CC)c(C(=O)NCC)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(C)c1

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.89
AGTR1 P30556 9/20 0.86

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
SCHEMBL5526155 0.94 EDNRA (1.00) EDNRAAGTR1
SCHEMBL5529072 0.94 EDNRA (0.90) EDNRAAGTR1
SCHEMBL5529108 0.93 EDNRA (1.00) EDNRAAGTR1
SCHEMBL5529077 0.92 EDNRA (0.86) EDNRAAGTR1
SCHEMBL6540466 0.89 EDNRA (0.91) EDNRAAGTR1
SCHEMBL5525968 0.89 EDNRA (0.71) EDNRAAGTR1
SCHEMBL5532418 0.87 EDNRA (0.89) EDNRAAGTR1
SCHEMBL5524919 0.87 EDNRA (1.00) EDNRAAGTR1
SCHEMBL4764511 0.86 EDNRA (0.89) EDNRAAGTR1
SCHEMBL4775151 0.86 EDNRA (1.00) EDNRAAGTR1

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 3 patents. 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 claimed
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