SCHEMBL8622145

SCHEMBL8622145

O=C(O)C1C(c2ccc3c(c2)OCO3)c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2C1c1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 16/20 0.61
EDNRA P25101 16/20 0.61
MAOB P27338 1/20 0.52
PTGER4 P35408 1/20 0.48

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
SCHEMBL7932091 0.92 EDNRB (0.67) EDNRBEDNRAMAOB
SCHEMBL8620446 0.83 EDNRB (0.68) EDNRBEDNRA
SCHEMBL7538043 0.83 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8621625 0.83 EDNRB (0.64) EDNRBEDNRA
SCHEMBL7538037 0.83 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8196385 0.80 EDNRB (0.78) EDNRBEDNRA
SCHEMBL7942478 0.79 EDNRA (0.79) EDNRBEDNRA
SCHEMBL7943708 0.79 EDNRA (0.79) EDNRBEDNRA
SCHEMBL7942483 0.79 EDNRA (0.79) EDNRBEDNRA
SCHEMBL7999632 0.78 EDNRA (0.81) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817693-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 1998-10-06 US disclosed
US-5719183-A HYPOTENSIVE AGENTS; KIDNEY DISEASES; ANTIISCHEMIC AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed
US-5719182-A TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed