SCHEMBL4774791

SCHEMBL4774791

COCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.82
AGTR1 P30556 2/20 0.61
AGTR2 P50052 2/20 0.57
EDNRB P24530 3/20 0.52

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
SCHEMBL4773774 0.90 EDNRA (1.00) EDNRAAGTR1AGTR2
SCHEMBL6938266 0.88 EDNRA (0.80) EDNRAAGTR1AGTR2EDNRB
SCHEMBL4766782 0.83 EDNRA (0.74) EDNRAAGTR1AGTR2
SCHEMBL5530761 0.82 EDNRA (0.80) EDNRAAGTR1AGTR2
SCHEMBL5534079 0.82 EDNRA (0.80) EDNRAAGTR1AGTR2
SCHEMBL4769864 0.82 EDNRA (0.79) EDNRAAGTR1AGTR2
SCHEMBL4774226 0.82 EDNRA (0.84) EDNRAAGTR1AGTR2
SCHEMBL4773927 0.81 EDNRA (0.83) EDNRAAGTR1AGTR2
SCHEMBL5536056 0.81 EDNRA (0.78) EDNRAAGTR1AGTR2
SCHEMBL4770295 0.81 EDNRA (0.83) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1094816-B1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-12-10 EP disclosed