SCHEMBL7246781

SCHEMBL7246781

COc1cc(C)nc(OC(C(=O)O)C(OCCCc2ccc(C)cc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.86
EDNRA P25101 20/20 0.86

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
SCHEMBL7245599 0.95 EDNRB (0.80) EDNRBEDNRA
SCHEMBL7245146 0.94 EDNRB (0.88) EDNRBEDNRA
SCHEMBL7248184 0.94 EDNRB (0.90) EDNRBEDNRA
SCHEMBL7253680 0.93 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7246598 0.90 EDNRB (0.80) EDNRBEDNRA
SCHEMBL7252235 0.90 EDNRB (0.89) EDNRBEDNRA
SCHEMBL7250638 0.89 EDNRB (0.80) EDNRBEDNRA
SCHEMBL7252229 0.88 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7246593 0.88 EDNRB (0.89) EDNRBEDNRA
SCHEMBL7252610 0.88 EDNRB (0.90) 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-6670367-B1 Vasodilator; hypertension; surprisingly show antagonistic action on the neurokinin receptor; 2-(4-Methoxy-6-methyl-2-pyrimidinyloxy)-3-(2-(3,4- dimethoxyphenyl)ethoxy)-3,3-diphenylpropionic Acid ABBOTT GMBH & CO., KG (DE) 2003-12-30 US disclosed