SCHEMBL7839408

SCHEMBL7839408

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

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.78
EDNRA P25101 19/20 0.75

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
SCHEMBL7830019 1.00 EDNRB (0.78) EDNRBEDNRA
SCHEMBL7840755 0.96 EDNRB (0.83) EDNRBEDNRA
SCHEMBL7831921 0.93 EDNRB (0.67) EDNRBEDNRA
SCHEMBL6313642 0.93 EDNRB (0.78) EDNRBEDNRA
SCHEMBL7842749 0.93 EDNRB (0.77) EDNRBEDNRA
SCHEMBL7840036 0.93 EDNRB (0.80) EDNRBEDNRA
SCHEMBL7841924 0.92 EDNRB (0.77) EDNRBEDNRA
SCHEMBL6322462 0.91 EDNRB (0.75) EDNRBEDNRA
SCHEMBL7839063 0.91 EDNRB (0.70) EDNRBEDNRA
SCHEMBL7839866 0.91 EDNRB (0.73) 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