SCHEMBL8549025

SCHEMBL8549025

COc1ccc(Cn2c(C(=O)O)c(-c3ccc4nsnc4c3)c3cc(N(C(N)=O)c4ccccc4)ccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.62
EDNRA P25101 7/20 0.51
PLA2G2A P14555 4/20 0.40
SERPINE1 P05121 2/20 0.40
PPARG P37231 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL8549579 0.96 EDNRB (0.68) EDNRBEDNRAPLA2G2ASERPINE1
SCHEMBL8549027 0.89 EDNRB (0.49) EDNRBEDNRAPLA2G2APPARG
SCHEMBL8547198 0.88 EDNRB (0.55) EDNRBEDNRAPLA2G2ATP53
SCHEMBL8550963 0.86 EDNRB (0.54) EDNRBEDNRASERPINE1
SCHEMBL8553149 0.86 EDNRB (0.52) EDNRBEDNRASERPINE1
SCHEMBL8549580 0.85 EDNRB (0.54) EDNRBEDNRAPLA2G2A
SCHEMBL8551991 0.84 EDNRB (0.52) EDNRBEDNRASERPINE1
SCHEMBL8552533 0.82 EDNRB (0.52) EDNRBEDNRAPLA2G2A
SCHEMBL8551966 0.82 EDNRB (0.69) EDNRBEDNRAPLA2G2ASERPINE1
SCHEMBL6314803 0.82 EDNRB (0.80) EDNRBEDNRATP53

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