SCHEMBL8901534

SCHEMBL8901534

CCOC(=O)c1c(-c2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccc(OC)cc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 15/20 0.69
EDNRA P25101 16/20 0.66

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
SCHEMBL8900951 0.95 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8900846 0.89 EDNRA (0.81) EDNRBEDNRA
SCHEMBL8902335 0.84 EDNRB (0.80) EDNRBEDNRA
SCHEMBL6314775 0.81 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8029697 0.81 EDNRB (0.53) EDNRBEDNRA
SCHEMBL8798982 0.80 EDNRB (0.78) EDNRBEDNRA
SCHEMBL6859336 0.79 PPARG (0.54) EDNRBEDNRA
SCHEMBL8902400 0.78 EDNRB (0.65) EDNRBEDNRA
SCHEMBL8900567 0.77 EDNRA (0.57) EDNRBEDNRA
SCHEMBL6857727 0.76 PPARG (0.72)

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
US-5686481-A INDOLE DERIVATIVES; TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-11-11 US disclosed
WO-1994014434-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed