SCHEMBL7246331

SCHEMBL7246331

Cc1cc(C)nc(OC(C(=O)O)C(OC=CCc2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 17/20 0.66
EDNRA P25101 17/20 0.66
NR1I2 O75469 1/20 0.65
KCNE1 P15382 1/20 0.65
KCNQ1 P51787 1/20 0.65
POLB P06746 1/20 0.65
KMT2A Q03164 2/20 0.59

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
SCHEMBL7252243 0.92 EDNRB (0.70) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7246411 0.79 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
Ambrisentan SCHEMBL20769813 0.79 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
Ambrisentan SCHEMBL138157 0.79 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
Ambrisentan SCHEMBL3679 0.79 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
Ambrisentan SCHEMBL3023434 0.79 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7252610 0.77 EDNRB (0.90) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7246327 0.77 EDNRB (0.90) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7230664 0.76 EDNRB (0.78) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7231048 0.75 EDNRB (0.69) EDNRBEDNRANR1I2KCNE1KCNQ1

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