SCHEMBL8902174

SCHEMBL8902174

O=C(O)c1ccc(Cn2c(C(=O)O)c(-c3ccc4c(c3)OCO4)c3ccccc32)c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 16/20 0.76
EDNRA P25101 16/20 0.76

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
SCHEMBL8900846 0.80 EDNRA (0.81) EDNRBEDNRA
SCHEMBL8900589 0.78 EDNRA (0.65) EDNRBEDNRA
SCHEMBL8543285 0.77 EDNRB (0.69) EDNRBEDNRA
SCHEMBL8545866 0.76 EDNRA (0.66) EDNRBEDNRA
SCHEMBL8902335 0.76 EDNRB (0.80) EDNRBEDNRA
SCHEMBL8540470 0.76 EDNRB (0.66) EDNRBEDNRA
SCHEMBL8856691 0.73 EDNRA (0.62) EDNRBEDNRA
SCHEMBL6315734 0.73 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6089927 0.71 EDNRA (0.66) EDNRBEDNRA
SCHEMBL6315635 0.71 EDNRB (1.00) 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 4 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
EP-0676959-A4 ENDOTHELIN RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM CORP (US) 1996-01-03 EP disclosed
EP-0676959-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-18 EP disclosed
WO-1994014434-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed