SCHEMBL8551387

SCHEMBL8551387

COc1ccc(-c2c(C(=O)O)n(Cc3ccc4nsnc4c3)c3cc(OC4CCCC4)c(OC)cc23)cc1F

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 13/20 0.66
EDNRA P25101 10/20 0.66
FFAR4 Q5NUL3 1/20 0.40
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
TP53 P04637 1/20 0.37

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
SCHEMBL8547973 0.91 EDNRB (0.75) EDNRBEDNRA
SCHEMBL8551390 0.90 EDNRB (0.53) EDNRBEDNRAFFAR4PDE4APDE4B
SCHEMBL8552337 0.89 EDNRB (0.64) EDNRBEDNRAPDE4APDE4BPDE4C
SCHEMBL8547921 0.87 EDNRB (0.69) EDNRBEDNRA
SCHEMBL8551943 0.86 EDNRB (0.68) EDNRBEDNRA
SCHEMBL8547128 0.86 EDNRB (0.49) EDNRBEDNRAFFAR4PDE4APDE4B
SCHEMBL8550950 0.85 EDNRB (0.58) EDNRBEDNRAPDE4APDE4BPDE4C
SCHEMBL8552951 0.85 EDNRB (0.66) EDNRBEDNRA
SCHEMBL8551777 0.84 EDNRB (0.65) EDNRBEDNRA
SCHEMBL8550885 0.81 EDNRB (0.74) 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