SCHEMBL8203979

SCHEMBL8203979

CCCOc1ccc2c(c1)C(c1ccc(OC)cc1OCCC)C(C(=O)O)C2c1ccc2c(c1)OCO2

nearest known ligand 0.93

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.93
EDNRB P24530 19/20 0.93

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
SCHEMBL13038489 1.00 EDNRA (0.93) EDNRAEDNRB
Enrasentan SCHEMBL29356829 0.97 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL1031130 0.97 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL8206689 0.97 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL1649828 0.97 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL7636324 0.97 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7538123 0.97 EDNRA (0.88) EDNRAEDNRB
SCHEMBL7810955 0.96 EDNRA (0.86) EDNRAEDNRB
SCHEMBL7538909 0.96 EDNRA (0.92) EDNRAEDNRB
SCHEMBL7532680 0.96 EDNRA (0.86) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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