SCHEMBL4293241

SCHEMBL4293241

CCCc1cc(N(C)Cc2ccc(-c3ccccc3S(=O)(=O)Nc3noc(C)c3C)c(COCC)c2)nc(C)n1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 15/20 0.54
AGTR1 P30556 4/20 0.54
EDNRB P24530 3/20 0.40

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
SCHEMBL13574910 0.94 EDNRA (0.52) EDNRAAGTR1EDNRB
SCHEMBL4284301 0.91 EDNRA (0.53) EDNRAAGTR1EDNRB
SCHEMBL4434216 0.89 EDNRA (0.52) EDNRAAGTR1EDNRB
SCHEMBL13574909 0.86 EDNRA (0.57) EDNRAAGTR1EDNRB
SCHEMBL4431782 0.86 EDNRA (0.52) EDNRAAGTR1EDNRB
SCHEMBL4285139 0.83 EDNRA (0.53) EDNRAAGTR1EDNRB
SCHEMBL4291230 0.82 EDNRA (0.55) EDNRAAGTR1EDNRB
SCHEMBL4287935 0.82 EDNRA (0.61) EDNRAAGTR1EDNRB
SCHEMBL5534093 0.80 EDNRA (0.54) EDNRAAGTR1EDNRB
SCHEMBL4433929 0.80 EDNRA (0.55) EDNRAAGTR1EDNRB

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
WO-2009155448-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO claimed