SCHEMBL8548124

SCHEMBL8548124

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

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 15/20 0.56
EDNRA P25101 12/20 0.55
SERPINE1 P05121 2/20 0.36

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
SCHEMBL8553567 0.92 EDNRB (0.67) EDNRBEDNRASERPINE1
SCHEMBL8548125 0.90 EDNRB (0.45) EDNRBEDNRA
SCHEMBL8551990 0.90 EDNRB (0.51) EDNRBEDNRASERPINE1
SCHEMBL8547943 0.90 EDNRB (0.55) EDNRBEDNRASERPINE1
SCHEMBL8551081 0.89 EDNRB (0.55) EDNRBEDNRA
SCHEMBL8548900 0.88 EDNRB (0.53) EDNRBEDNRASERPINE1
SCHEMBL8550378 0.88 EDNRB (0.51) EDNRBEDNRA
SCHEMBL8551303 0.87 EDNRB (0.59) EDNRBEDNRASERPINE1
SCHEMBL8547308 0.87 EDNRB (0.59) EDNRBEDNRASERPINE1
SCHEMBL8546569 0.84 EDNRB (0.59) EDNRBEDNRASERPINE1

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