SCHEMBL8550830

SCHEMBL8550830

COc1cc2c(-c3ccc4c(c3)CCO4)c(C(=O)O)n(Cc3ccc4nsnc4c3)c2cc1OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 18/20 0.70
EDNRA P25101 17/20 0.70

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
SCHEMBL8594148 0.94 EDNRB (0.79) EDNRBEDNRA
SCHEMBL8550833 0.91 EDNRB (0.56) EDNRBEDNRA
SCHEMBL8550470 0.90 EDNRB (0.69) EDNRBEDNRA
SCHEMBL8548004 0.89 EDNRB (0.71) EDNRBEDNRA
SCHEMBL8548806 0.88 EDNRB (0.53) EDNRBEDNRA
SCHEMBL8547911 0.87 EDNRB (0.58) EDNRBEDNRA
SCHEMBL8547921 0.87 EDNRB (0.69) EDNRBEDNRA
SCHEMBL8552951 0.86 EDNRB (0.66) EDNRBEDNRA
SCHEMBL8551023 0.85 EDNRB (0.67) EDNRBEDNRA
SCHEMBL8594151 0.84 EDNRB (0.63) 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