SCHEMBL7832086

SCHEMBL7832086

COc1ccc(C2(O)OC(=O)C(c3ccc4nsnc4c3)=C2Cc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.72
EDNRA P25101 19/20 0.64

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
SCHEMBL7831927 1.00 EDNRB (0.72) EDNRBEDNRA
SCHEMBL7831359 0.96 EDNRA (0.66) EDNRBEDNRA
SCHEMBL7830311 0.95 EDNRA (0.67) EDNRBEDNRA
SCHEMBL7840824 0.94 EDNRA (0.64) EDNRBEDNRA
SCHEMBL7840036 0.94 EDNRB (0.80) EDNRBEDNRA
SCHEMBL7838994 0.94 EDNRB (0.68) EDNRBEDNRA
SCHEMBL7841837 0.93 EDNRB (0.62) EDNRBEDNRA
SCHEMBL7840261 0.93 EDNRB (0.62) EDNRBEDNRA
SCHEMBL6321607 0.93 EDNRB (0.72) EDNRBEDNRA
SCHEMBL7842749 0.92 EDNRB (0.77) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882030-B1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK PATENT GMBH (DE) 2001-09-12 EP disclosed
US-6017939-A 2,1,3-benzothia(OXA)diazole derivatives having an endothelin receptor antagonistic effect MERCK PATENT GESELLSCHAFT (DE) 2000-01-25 US disclosed
EP-0882030-A1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK PATENT GmbH (DE) 1998-12-09 EP disclosed
WO-1998042702-A1 ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1998-10-01 WO disclosed
WO-1997030982-A1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-08-28 WO disclosed