SCHEMBL8549097

SCHEMBL8549097

CCCOc1ccc2c(c1)c(-c1ccc(OC)c(F)c1)c(OC(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.67
EDNRA P25101 7/20 0.58
PLA2G2A P14555 1/20 0.35
GRM2 Q14416 1/20 0.35
FFAR1 O14842 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL8551602 0.94 EDNRB (0.69) EDNRBEDNRAPLA2G2AMEN1MAPT
SCHEMBL8552338 0.94 EDNRB (0.58) EDNRBEDNRAGRM2MEN1MAPT
SCHEMBL8552514 0.92 EDNRB (0.62) EDNRBEDNRAMEN1MAPTMAPK1
SCHEMBL6661772 0.91 EDNRB (0.79) EDNRBEDNRAPLA2G2A
SCHEMBL8548888 0.90 EDNRB (0.65) EDNRBEDNRAPLA2G2A
SCHEMBL8549095 0.89 EDNRB (0.84) EDNRBEDNRA
SCHEMBL8592785 0.88 EDNRB (0.69) EDNRBEDNRAPLA2G2A
SCHEMBL8550960 0.88 EDNRB (0.66) EDNRBEDNRAPLA2G2AMEN1MAPT
SCHEMBL8547974 0.87 EDNRB (0.59) EDNRBEDNRAGRM2
SCHEMBL8551781 0.87 EDNRB (0.52) EDNRBEDNRAGRM2

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