SCHEMBL8177010

SCHEMBL8177010

CCc1cccc(CC)c1NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)O)[C@H]1c1cccc(OCCOC)c1

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 0.89
EDNRA P25101 19/20 0.89

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
SCHEMBL8191077 0.94 EDNRB (0.88) EDNRBEDNRA
SCHEMBL8185019 0.94 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8180058 0.94 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8189503 0.94 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8189498 0.94 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8185879 0.92 EDNRB (0.96) EDNRBEDNRA
A-192621 SCHEMBL1030269 0.88 EDNRB (1.00) EDNRBEDNRA
A-192621 SCHEMBL22404939 0.88 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8176298 0.88 EDNRB (0.94) EDNRBEDNRA
A-192621 SCHEMBL29551251 0.88 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