SCHEMBL4769458

SCHEMBL4769458

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2CCO)c(S(=O)(=O)Nc2onc(C)c2C)c1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.75
AGTR1 P30556 5/20 0.74
AGTR2 P50052 1/20 0.52
ACHE P22303 3/20 0.49
LTB4R2 Q9NPC1 2/20 0.49

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
SCHEMBL4767356 0.95 EDNRA (0.80) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL4771926 0.91 EDNRA (0.81) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL4764655 0.91 EDNRA (0.85) EDNRAAGTR1AGTR2
SCHEMBL5787220 0.90 EDNRA (0.86) EDNRAAGTR1AGTR2
SCHEMBL4774226 0.90 EDNRA (0.84) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL4766054 0.90 EDNRA (0.83) EDNRAAGTR1AGTR2
SCHEMBL4764284 0.89 EDNRA (0.81) EDNRAAGTR1AGTR2
SCHEMBL4770295 0.88 EDNRA (0.83) EDNRAAGTR1AGTR2LTB4R2
SCHEMBL6539697 0.88 EDNRA (0.80) EDNRAAGTR1AGTR2
SCHEMBL4772075 0.88 EDNRA (0.80) EDNRAAGTR1AGTR2

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-2002837-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-17 EP disclosed
EP-1741713-A2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed