SCHEMBL8208036

SCHEMBL8208036

CCCOc1ccc2c(c1)C(c1ccc(OC)cc1CCCO)C(C(=O)O)C2c1ccc2c(c1)OCO2

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.78
EDNRB P24530 18/20 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
SCHEMBL7809560 0.95 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7532068 0.95 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7532849 0.93 EDNRA (0.83) EDNRAEDNRB
SCHEMBL8202830 0.93 EDNRA (0.77) EDNRAEDNRB
SCHEMBL7538653 0.91 EDNRA (0.79) EDNRAEDNRB
SCHEMBL7538909 0.90 EDNRA (0.92) EDNRAEDNRB
SCHEMBL8203958 0.89 EDNRA (0.82) EDNRAEDNRB
SCHEMBL6962257 0.88 EDNRA (0.75) EDNRAEDNRB
Enrasentan SCHEMBL29356829 0.88 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL1649828 0.88 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 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