A-192621

A-192621

SCHEMBL3982386

CCCOc1ccc(C2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 1.00
EDNRA P25101 20/20 1.00

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 1.00 EDNRB (1.00) EDNRBEDNRA
A-192621 SCHEMBL29551251 1.00 EDNRB (1.00) EDNRBEDNRA
A-192621 SCHEMBL7465738 1.00 EDNRB (1.00) EDNRBEDNRA
A-192621 SCHEMBL3982388 1.00 EDNRB (1.00) EDNRBEDNRA
A-192621 SCHEMBL22404939 1.00 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8176298 0.97 EDNRB (0.94) EDNRBEDNRA
SCHEMBL8189498 0.94 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8189503 0.94 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8185019 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1906987-A4 METHODS AND COMPOSITIONS FOR EMERGENCY CONTRACEPTION USING ENDOTHELIN RECEPTOR ANTAGONISTS POPULATION COUNCIL INC (US) 2009-01-28 EP disclosed
EP-1906987-A1 METHODS AND COMPOSITIONS FOR EMERGENCY CONTRACEPTION USING ENDOTHELIN RECEPTOR ANTAGONISTS The Population Council, Inc. (US) 2008-04-09 EP disclosed
WO-2007012006-A1 METHODS AND COMPOSITIONS FOR EMERGENCY CONTRACEPTION USING ENDOTHELIN RECEPTOR ANTAGONISTS THE POPULATION COUNCIL, INC. (US) 2007-01-25 WO disclosed