SCHEMBL7930277

SCHEMBL7930277

CCCOc1ccc2c(c1)C(c1ccc(OC)cc1OCC(=O)O)C(CCN)C2c1ccc2c(c1)OCO2

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.78
EDNRB P24530 8/20 0.78

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
SCHEMBL7932081 0.94 EDNRA (0.80) EDNRAEDNRB
SCHEMBL7538338 0.91 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7933827 0.90 EDNRA (0.83) EDNRAEDNRB
Sb-209670 SCHEMBL4197810 0.87 EDNRA (1.00) EDNRAEDNRB
Sb-209670 SCHEMBL8734573 0.87 EDNRA (1.00) EDNRAEDNRB
Sb-209670 SCHEMBL1028671 0.87 EDNRA (1.00) EDNRAEDNRB
Sb-209670 SCHEMBL29550762 0.87 EDNRA (1.00) EDNRAEDNRB
Sb-209670 SCHEMBL7532946 0.87 EDNRA (0.98) EDNRAEDNRB
Sb-209670 SCHEMBL6953911 0.87 EDNRA (0.98) EDNRAEDNRB
Sb-209670 SCHEMBL7664400 0.87 EDNRA (0.98) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6274737-B1 CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2001-08-14 US disclosed
US-6271399-B1 METHYL 3-(3,4-METHYLENEDIOXYPHENYL)-6-(PROP-1-YLOXY)-INDANE-2-CARBOXYLATE DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-08-07 US disclosed
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