SCHEMBL6960833

SCHEMBL6960833

CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCC(=O)OC)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2.[NaH]

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.87
EDNRB P24530 17/20 0.87

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
SCHEMBL7667519 0.99 EDNRA (0.88) EDNRAEDNRB
SCHEMBL6960843 0.98 EDNRA (0.87) EDNRAEDNRB
Sb-209670 SCHEMBL7664400 0.94 EDNRA (0.98) EDNRAEDNRB
SCHEMBL6959505 0.93 EDNRA (0.85) EDNRAEDNRB
SCHEMBL6960556 0.93 EDNRA (0.85) EDNRAEDNRB
SCHEMBL8091938 0.93 EDNRA (0.77) EDNRAEDNRB
Sb-209670 SCHEMBL1028671 0.93 EDNRA (1.00) EDNRAEDNRB
Sb-209670 SCHEMBL8734573 0.93 EDNRA (1.00) EDNRAEDNRB
Sb-209670 SCHEMBL4197810 0.93 EDNRA (1.00) EDNRAEDNRB
Sb-209670 SCHEMBL29550762 0.93 EDNRA (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699069-B9 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-10-22 EP disclosed
EP-0699069-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-02-13 EP disclosed
US-6087389-A TREATING CARDIOVASCULAR AND RENAL DISEASES INCLUDING HYPERTENSION, ACUTE AND CHRONIC RENAL FAILURE, CYCLOSPORINE INDUCED NEPHROTOXICITY, STROKE, CEREBROVASCULAR VASOSPASM, MYOCARDIAL ISCHEMIA, ANGINA, HEART FAILURE, ATHEROSCLEROSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-11 US disclosed