SCHEMBL8552476

SCHEMBL8552476

Nc1ccc2c(c1)c(-c1ccc(CO)cc1)c(C(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.61
EDNRA P25101 11/20 0.55
SERPINE1 P05121 4/20 0.44

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
SCHEMBL8550747 0.90 EDNRB (0.58) EDNRBEDNRASERPINE1
SCHEMBL8550267 0.89 EDNRB (0.77) EDNRBEDNRASERPINE1
SCHEMBL8546347 0.86 EDNRB (0.66) EDNRBEDNRASERPINE1
SCHEMBL8552478 0.86 EDNRB (0.48) EDNRBEDNRASERPINE1
SCHEMBL8550963 0.83 EDNRB (0.54) EDNRBEDNRASERPINE1
SCHEMBL8549435 0.83 EDNRB (0.62) EDNRBEDNRASERPINE1
SCHEMBL8592784 0.83 EDNRB (0.87) EDNRBEDNRASERPINE1
SCHEMBL8548103 0.82 EDNRB (0.60) EDNRBEDNRASERPINE1
SCHEMBL8548814 0.81 EDNRB (0.57) EDNRBEDNRASERPINE1
SCHEMBL8549596 0.81 EDNRB (0.57) EDNRBEDNRASERPINE1

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