SCHEMBL8548902

SCHEMBL8548902

CCCCN(c1ccc2c(c1)c(-c1ccc(C=O)cc1)c(OC(=O)O)n2Cc1ccc2nsnc2c1)S(=O)(=O)CCCC

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 6/20 0.43
EDNRA P25101 3/20 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
SCHEMBL8547944 0.92 EDNRB (0.44) EDNRBEDNRA
SCHEMBL8553569 0.91 EDNRB (0.54) EDNRBEDNRA
SCHEMBL8548900 0.90 EDNRB (0.53) EDNRBEDNRA
SCHEMBL8548125 0.89 EDNRB (0.45) EDNRBEDNRA
SCHEMBL8655565 0.88 EDNRB (0.45) EDNRBEDNRA
SCHEMBL8545781 0.87 EDNRB (0.44) EDNRBEDNRA
SCHEMBL8546601 0.86 EDNRB (0.51) EDNRBEDNRA
SCHEMBL8551995 0.85 EDNRB (0.41) EDNRBEDNRA
SCHEMBL8551102 0.85 EDNRB (0.45) EDNRBEDNRA
SCHEMBL8551085 0.84 EDNRB (0.45) EDNRBEDNRA

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-0863898-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1998-09-16 EP disclosed
WO-1997019077-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-05-29 WO disclosed