SCHEMBL7205852

SCHEMBL7205852

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(N2CCOCC2)nc1OCCC(=O)Nc1ccc(C(C)C)cc1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.68
EDNRB P24530 17/20 0.68

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
SCHEMBL7206271 0.93 EDNRA (0.66) EDNRAEDNRB
SCHEMBL7209704 0.90 EDNRA (0.68) EDNRAEDNRB
SCHEMBL7205085 0.90 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7205102 0.88 EDNRA (0.70) EDNRAEDNRB
SCHEMBL7206055 0.88 EDNRA (0.84) EDNRAEDNRB
SCHEMBL7206619 0.88 EDNRA (0.77) EDNRAEDNRB
SCHEMBL7205231 0.88 EDNRA (0.77) EDNRAEDNRB
SCHEMBL7208928 0.87 EDNRA (0.70) EDNRAEDNRB
SCHEMBL8326900 0.85 EDNRA (0.82) EDNRAEDNRB
SCHEMBL7204657 0.85 EDNRA (0.81) EDNRAEDNRB

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-0852226-B1 PYRIMIDINE DERIVATIVES KOWA CO (JP) 2003-11-19 EP disclosed
US-5883092-A Pyrimidine derivatives as endothelin antagonists KOWA CO., LTD. (JP) 1999-03-16 US disclosed
EP-0852226-A1 PYRIMIDINE DERIVATIVES KOWA CO. LTD. (JP) 1998-07-08 EP disclosed