SCHEMBL6561863

SCHEMBL6561863

COc1cc(C)nc(OC(C(=O)O)C(OCC(C)(C)C(=O)O)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 18/20 0.74
EDNRA P25101 18/20 0.74
NR1I2 O75469 1/20 0.61
KCNE1 P15382 1/20 0.61
KCNQ1 P51787 1/20 0.61
POLB P06746 1/20 0.61
KMT2A Q03164 1/20 0.58

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
SCHEMBL6561931 0.86 EDNRB (0.77) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL795626 0.86 EDNRB (0.77) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL6561607 0.85 EDNRB (0.61) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7934042 0.85 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7252235 0.84 EDNRB (0.89) EDNRBEDNRAPOLBKMT2A
SCHEMBL7245599 0.82 EDNRB (0.80) EDNRBEDNRAKMT2A
SCHEMBL7252240 0.82 EDNRB (0.78) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7245146 0.82 EDNRB (0.88) EDNRBEDNRAKMT2A
SCHEMBL7239124 0.81 EDNRB (0.71) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7252229 0.81 EDNRB (1.00) EDNRBEDNRAKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892786-B1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE ABBOTT GMBH & CO KG (DE) 2004-06-09 EP disclosed
US-6610691-B1 Inhibit binding of endothelin to receptor; treating hypertension BASF AKTIENGESELLSCHAFT (DE) 2003-08-26 US disclosed
EP-0892786-A1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1999-01-27 EP disclosed
WO-1997038980-A1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1997-10-23 WO disclosed