SCHEMBL8547840

SCHEMBL8547840

COc1cc2c(-c3ccc4nsnc4c3)c(OC(=O)O)n(Cc3ccc4c(c3)OCO4)c2cc1OC(C)C

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 0.68
EDNRA P25101 16/20 0.68

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
SCHEMBL8552129 0.92 EDNRB (0.63) EDNRBEDNRA
SCHEMBL8551270 0.88 EDNRB (0.65) EDNRBEDNRA
SCHEMBL8548007 0.88 EDNRB (0.58) EDNRBEDNRA
SCHEMBL8551949 0.86 EDNRB (0.54) EDNRBEDNRA
SCHEMBL8552838 0.86 EDNRB (0.53) EDNRBEDNRA
SCHEMBL6313368 0.84 EDNRB (0.94) EDNRBEDNRA
SCHEMBL8551621 0.83 EDNRB (0.47) EDNRBEDNRA
SCHEMBL8594151 0.82 EDNRB (0.63) EDNRBEDNRA
SCHEMBL8547247 0.82 EDNRB (0.65) EDNRBEDNRA
SCHEMBL8550808 0.81 EDNRB (0.67) 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