SCHEMBL7840780

SCHEMBL7840780

COc1ccc(CC2=C(c3ccc4nsnc4c3)C(=O)OC2(O)c2ccc(OCc3ccccc3)cc2)c(OCC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 16/20 0.61
EDNRA P25101 19/20 0.52

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
SCHEMBL8703404 0.96 EDNRB (0.56) EDNRBEDNRA
SCHEMBL7837967 0.95 EDNRB (0.60) EDNRBEDNRA
SCHEMBL7839919 0.93 EDNRB (0.62) EDNRBEDNRA
SCHEMBL7840944 0.93 EDNRB (0.67) EDNRBEDNRA
SCHEMBL7842050 0.91 EDNRB (0.62) EDNRBEDNRA
SCHEMBL6313815 0.90 EDNRB (0.69) EDNRBEDNRA
SCHEMBL8620747 0.89 EDNRB (0.57) EDNRBEDNRA
SCHEMBL7843797 0.89 EDNRB (0.59) EDNRBEDNRA
SCHEMBL7840070 0.89 EDNRB (0.59) EDNRBEDNRA
SCHEMBL7831939 0.89 EDNRB (0.61) 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-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-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