SCHEMBL8552533

SCHEMBL8552533

CCOC(=O)Oc1c(-c2ccc(OC)cc2)c2cc(N(C(N)=O)c3ccccc3)ccc2n1Cc1ccc2nsnc2c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 8/20 0.52
EDNRA P25101 4/20 0.41
PLA2G2A P14555 9/20 0.38
KMT2A Q03164 1/20 0.36
LMNA P02545 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
SCHEMBL8549342 0.93 EDNRB (0.45) EDNRBEDNRAPLA2G2AKMT2ALMNA
SCHEMBL8547912 0.93 EDNRB (0.43) EDNRBEDNRAPLA2G2ALMNA
SCHEMBL8549580 0.92 EDNRB (0.54) EDNRBEDNRAPLA2G2A
SCHEMBL8549391 0.91 EDNRB (0.44) EDNRBEDNRAPLA2G2AKMT2A
SCHEMBL8546593 0.91 EDNRB (0.42) EDNRBEDNRAPLA2G2A
SCHEMBL8549812 0.90 EDNRB (0.41) EDNRBEDNRAPLA2G2A
SCHEMBL8549027 0.89 EDNRB (0.49) EDNRBEDNRAPLA2G2AKMT2A
SCHEMBL8548173 0.87 EDNRB (0.52) EDNRBEDNRAPLA2G2AKMT2ALMNA
SCHEMBL8548588 0.87 EDNRB (0.40) EDNRBEDNRAPLA2G2A
SCHEMBL8549579 0.86 EDNRB (0.68) 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