SCHEMBL5320622

SCHEMBL5320622

CCCC(=O)[N+](Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2Cl)cc1)(C(C)C)[C@H](C(N)=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.40
AGTR1 P30556 2/20 0.40
EDNRB P24530 2/20 0.39

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
SCHEMBL5789923 0.93 EDNRA (0.42) EDNRAAGTR1EDNRB
SCHEMBL5530779 0.85 EDNRA (0.58) EDNRAAGTR1EDNRB
SCHEMBL4774360 0.83 EDNRA (0.42) EDNRAAGTR1EDNRB
SCHEMBL5532213 0.82 EDNRA (0.42) EDNRAAGTR1EDNRB
SCHEMBL4764397 0.79 EDNRA (0.41) EDNRAAGTR1EDNRB
SCHEMBL5534071 0.79 EDNRA (0.39) EDNRAAGTR1EDNRB
SCHEMBL4770986 0.79 EDNRA (0.41) EDNRAAGTR1EDNRB
SCHEMBL4773398 0.79 EDNRA (0.41) EDNRAAGTR1EDNRB
SCHEMBL4771862 0.78 EDNRA (0.41) EDNRAAGTR1EDNRB
SCHEMBL4764479 0.78 EDNRA (0.43) 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-2007109456-A2 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2007-09-27 WO disclosed