SCHEMBL8552514

SCHEMBL8552514

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 10/20 0.62
EDNRA P25101 5/20 0.54
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
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
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL8549608 0.95 EDNRB (0.54) EDNRBEDNRAKDM4EGAAHSD17B10
SCHEMBL8551956 0.94 EDNRB (0.64) EDNRBEDNRAKDM4EGAAHSD17B10
SCHEMBL8549097 0.92 EDNRB (0.67) EDNRBEDNRAMEN1MAPTMAPK1
SCHEMBL8550789 0.92 EDNRB (0.73) EDNRBEDNRAKDM4EGAAHSD17B10
SCHEMBL8549319 0.91 EDNRB (0.61) EDNRBEDNRAKDM4EGAAHSD17B10
SCHEMBL8547813 0.89 EDNRB (0.64) EDNRBEDNRAKDM4EGAAHSD17B10
SCHEMBL8548507 0.89 EDNRB (0.54) EDNRBEDNRAGAA
SCHEMBL8547424 0.88 EDNRB (0.61) EDNRBEDNRAKDM4EGAAHSD17B10
SCHEMBL8552338 0.87 EDNRB (0.58) EDNRBEDNRAKDM4EHSD17B10MEN1
SCHEMBL8549390 0.87 EDNRB (0.48) 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