SCHEMBL7841833

SCHEMBL7841833

COc1ccccc1CC1=C(c2ccc3nsnc3c2)C(=O)OC1(O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 17/20 0.67
EDNRA P25101 18/20 0.57

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
SCHEMBL6313815 0.92 EDNRB (0.69) EDNRBEDNRA
SCHEMBL7839647 0.91 EDNRB (0.77) EDNRBEDNRA
SCHEMBL7839419 0.90 EDNRB (0.67) EDNRBEDNRA
SCHEMBL7831145 0.90 EDNRB (0.70) EDNRBEDNRA
SCHEMBL6314857 0.90 EDNRB (0.83) EDNRBEDNRA
SCHEMBL7831927 0.90 EDNRB (0.72) EDNRBEDNRA
SCHEMBL7832086 0.90 EDNRB (0.72) EDNRBEDNRA
SCHEMBL7830311 0.89 EDNRA (0.67) EDNRBEDNRA
SCHEMBL7840780 0.89 EDNRB (0.61) EDNRBEDNRA
SCHEMBL7840497 0.88 EDNRB (0.66) 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