SCHEMBL8550808

SCHEMBL8550808

CCOc1ccc2c(c1)c(-c1ccc3nsnc3c1)c(OC(=O)O)n2Cc1ccc2c(c1)OCO2

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 18/20 0.67
EDNRA P25101 13/20 0.67
PDE5A O76074 1/20 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
SCHEMBL8553472 0.91 EDNRB (0.81) EDNRBEDNRA
SCHEMBL8547606 0.87 EDNRB (0.56) EDNRBEDNRA
SCHEMBL8547593 0.86 EDNRB (0.58) EDNRBEDNRA
SCHEMBL6660199 0.86 EDNRB (0.69) EDNRBEDNRA
SCHEMBL8552706 0.84 EDNRB (0.55) EDNRBEDNRA
SCHEMBL8547247 0.84 EDNRB (0.65) EDNRBEDNRA
SCHEMBL8547997 0.82 EDNRB (0.54) EDNRBEDNRA
SCHEMBL8552338 0.82 EDNRB (0.58) EDNRBEDNRA
SCHEMBL8547840 0.81 EDNRB (0.68) EDNRBEDNRA
SCHEMBL8552415 0.81 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