SCHEMBL8900609

SCHEMBL8900609

COc1ccc(-c2c(C(=O)O)n(Cc3cc4c(cc3Cl)OCO4)c3ccccc23)c(OCCC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.48
EDNRB P24530 10/20 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
SCHEMBL9023703 0.92 EDNRA (0.48) EDNRAEDNRB
SCHEMBL4186593 0.92 EDNRA (0.49) EDNRAEDNRB
SCHEMBL8902284 0.88 EDNRA (0.49) EDNRAEDNRB
SCHEMBL8902917 0.86 EDNRA (0.50) EDNRAEDNRB
SCHEMBL8902860 0.86 EDNRA (0.52) EDNRAEDNRB
SCHEMBL8902261 0.86 EDNRA (0.52) EDNRAEDNRB
SCHEMBL8856691 0.83 EDNRA (0.62) EDNRAEDNRB
SCHEMBL8902594 0.82 EDNRA (0.47) EDNRAEDNRB
SCHEMBL9023321 0.82 EDNRA (0.47) EDNRAEDNRB
SCHEMBL8543285 0.77 EDNRB (0.69) EDNRAEDNRB

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