SCHEMBL8551619

SCHEMBL8551619

COc1ccc(OC)c(Cn2c(C(=O)O)c(-c3ccc4nsnc4c3)c3cc(OC)c(OC(C)C)cc32)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.59
EDNRA P25101 8/20 0.59
TP53 P04637 1/20 0.40

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
SCHEMBL8548216 0.94 EDNRB (0.65) EDNRBEDNRATP53
SCHEMBL8551621 0.89 EDNRB (0.47) EDNRBEDNRA
SCHEMBL8552837 0.87 EDNRB (0.67) EDNRBEDNRATP53
SCHEMBL8551941 0.87 EDNRB (0.58) EDNRBEDNRATP53
SCHEMBL8550894 0.87 EDNRB (0.59) EDNRBEDNRATP53
SCHEMBL8550950 0.86 EDNRB (0.58) EDNRBEDNRATP53
SCHEMBL8549381 0.85 EDNRB (0.43) EDNRBEDNRA
SCHEMBL8551943 0.84 EDNRB (0.68) EDNRBEDNRA
SCHEMBL8548217 0.83 EDNRB (0.51) EDNRBEDNRATP53
SCHEMBL8553063 0.82 EDNRB (0.54) 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