SCHEMBL8176298

SCHEMBL8176298

CCCCOc1ccc([C@@H]2[C@@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1

nearest known ligand 0.94

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 0.94
EDNRA P25101 19/20 0.94

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
A-192621 SCHEMBL1030269 0.97 EDNRB (1.00) EDNRBEDNRA
A-192621 SCHEMBL3982386 0.97 EDNRB (1.00) EDNRBEDNRA
A-192621 SCHEMBL22404939 0.97 EDNRB (1.00) EDNRBEDNRA
A-192621 SCHEMBL29551251 0.97 EDNRB (1.00) EDNRBEDNRA
A-192621 SCHEMBL7465738 0.97 EDNRB (1.00) EDNRBEDNRA
A-192621 SCHEMBL3982388 0.97 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8185019 0.94 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8189503 0.94 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8189498 0.94 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8180058 0.94 EDNRB (1.00) EDNRBEDNRA

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-6124341-A A DRUG FOR TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, RESTENOSIS FOLLOWING ARTERIAL INJURY, CEREBRAL OR MYOCARDIAL ISCHEMIA OR ATHEROSCLEROSIS; VASODILUTOR ABBOTT LABORATORIES (US) 2000-09-26 US disclosed