SCHEMBL8549095

SCHEMBL8549095

CCCOc1ccc2c(c1)c(-c1ccc(OC)c(F)c1)c(C(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 18/20 0.84
EDNRA P25101 13/20 0.72

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
SCHEMBL8552334 0.94 EDNRB (0.73) EDNRBEDNRA
SCHEMBL8551598 0.94 EDNRB (0.86) EDNRBEDNRA
SCHEMBL6314805 0.91 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8548885 0.90 EDNRB (0.82) EDNRBEDNRA
SCHEMBL8549097 0.89 EDNRB (0.67) EDNRBEDNRA
SCHEMBL6315563 0.89 EDNRB (0.92) EDNRBEDNRA
SCHEMBL8592784 0.88 EDNRB (0.87) EDNRBEDNRA
SCHEMBL8550955 0.87 EDNRB (0.81) EDNRBEDNRA
SCHEMBL8547973 0.87 EDNRB (0.75) EDNRBEDNRA
SCHEMBL8551777 0.86 EDNRB (0.65) 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