SCHEMBL8549580

SCHEMBL8549580

COc1ccc(-c2c(OC(=O)O)n(Cc3ccc4nsnc4c3)c3ccc(N(C(N)=O)c4ccccc4)cc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 8/20 0.54
EDNRA P25101 4/20 0.42
PLA2G2A P14555 11/20 0.39
POLB P06746 1/20 0.35
MAPT P10636 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
SCHEMBL8549027 0.96 EDNRB (0.49) EDNRBEDNRAPLA2G2AMAPT
SCHEMBL8552533 0.92 EDNRB (0.52) EDNRBEDNRAPLA2G2A
SCHEMBL8550966 0.92 EDNRB (0.43) EDNRBEDNRAPLA2G2A
SCHEMBL8547200 0.91 EDNRB (0.45) EDNRBEDNRAPLA2G2AMAPT
SCHEMBL8551994 0.90 EDNRB (0.42) EDNRBEDNRA
SCHEMBL8549579 0.89 EDNRB (0.68) EDNRBEDNRAPLA2G2A
SCHEMBL8553153 0.89 EDNRB (0.43) EDNRBEDNRAPLA2G2AMAPT
SCHEMBL8550230 0.86 EDNRB (0.66) EDNRBEDNRAPLA2G2AMAPT
SCHEMBL8551968 0.86 EDNRB (0.55) EDNRBEDNRAPLA2G2APOLBMAPT
SCHEMBL8549025 0.85 EDNRB (0.62) 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