SCHEMBL8551944

SCHEMBL8551944

CCCCCOc1cc2c(cc1OC)c(-c1ccc3nsnc3c1)c(OC(=O)O)n2Cc1cc(OC)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.46
EDNRA P25101 3/20 0.45
PLA2G2A P14555 5/20 0.39
PDE10A Q9Y233 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL8548217 0.92 EDNRB (0.51) EDNRBEDNRA
SCHEMBL8549138 0.91 EDNRB (0.46) EDNRBEDNRAPLA2G2A
SCHEMBL8551941 0.90 EDNRB (0.58) EDNRBEDNRAPLA2G2A
SCHEMBL8550898 0.88 EDNRB (0.47) EDNRBEDNRA
SCHEMBL8551621 0.87 EDNRB (0.47) EDNRBEDNRA
SCHEMBL8551781 0.85 EDNRB (0.52) EDNRBEDNRAPDE10A
SCHEMBL8552610 0.85 EDNRB (0.46) EDNRBEDNRA
SCHEMBL8550952 0.85 EDNRB (0.46) EDNRBEDNRA
SCHEMBL8550953 0.83 EDNRB (0.64) EDNRBEDNRAPLA2G2A
SCHEMBL8553066 0.81 EDNRB (0.43) 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