SCHEMBL6562986

SCHEMBL6562986

COC(=O)C(Oc1nc(C)cc(OC)n1)C(OCCOC(C)=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.66
EDNRA P25101 20/20 0.66

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
SCHEMBL6561607 0.84 EDNRB (0.61) EDNRBEDNRA
SCHEMBL7252235 0.82 EDNRB (0.89) EDNRBEDNRA
SCHEMBL795626 0.82 EDNRB (0.77) EDNRBEDNRA
SCHEMBL6561931 0.82 EDNRB (0.77) EDNRBEDNRA
SCHEMBL7245599 0.81 EDNRB (0.80) EDNRBEDNRA
SCHEMBL7245146 0.80 EDNRB (0.88) EDNRBEDNRA
SCHEMBL7252229 0.79 EDNRB (1.00) EDNRBEDNRA
SCHEMBL2350734 0.79 EDNRB (0.81) EDNRBEDNRA
SCHEMBL1068402 0.79 EDNRB (0.81) EDNRBEDNRA
SCHEMBL7247503 0.79 EDNRB (0.70) 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 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