SCHEMBL8551777

SCHEMBL8551777

CCCCCOc1cc2c(cc1OC)c(-c1ccc(OC)c(F)c1)c(C(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.65
EDNRA P25101 11/20 0.65
PLA2G2A P14555 2/20 0.37

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
SCHEMBL8547973 0.92 EDNRB (0.75) EDNRBEDNRA
SCHEMBL8551781 0.90 EDNRB (0.52) EDNRBEDNRA
SCHEMBL8552951 0.89 EDNRB (0.66) EDNRBEDNRA
SCHEMBL8551943 0.87 EDNRB (0.68) EDNRBEDNRA
SCHEMBL8549390 0.86 EDNRB (0.48) EDNRBEDNRA
SCHEMBL8549095 0.86 EDNRB (0.84) EDNRBEDNRA
SCHEMBL8550951 0.86 EDNRB (0.81) EDNRBEDNRA
SCHEMBL8550470 0.86 EDNRB (0.69) EDNRBEDNRA
SCHEMBL8551941 0.85 EDNRB (0.58) EDNRBEDNRAPLA2G2A
SCHEMBL8549137 0.85 EDNRB (0.58) EDNRBEDNRAPLA2G2A

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