SCHEMBL7839647

SCHEMBL7839647

COc1ccc(C2(O)OC(=O)C(c3ccc4nsnc4c3)=C2Cc2ccccc2OC)cc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 17/20 0.77
EDNRA P25101 19/20 0.60

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
SCHEMBL7839419 0.94 EDNRB (0.67) EDNRBEDNRA
SCHEMBL6313356 0.93 EDNRB (0.77) EDNRBEDNRA
SCHEMBL7842527 0.93 EDNRB (0.66) EDNRBEDNRA
SCHEMBL7841483 0.92 EDNRB (0.66) EDNRBEDNRA
SCHEMBL6312773 0.91 EDNRB (0.77) EDNRBEDNRA
SCHEMBL7842008 0.91 EDNRB (0.64) EDNRBEDNRA
SCHEMBL7841833 0.91 EDNRB (0.67) EDNRBEDNRA
SCHEMBL7843248 0.91 EDNRB (0.63) EDNRBEDNRA
SCHEMBL7832475 0.90 EDNRB (0.62) EDNRBEDNRA
SCHEMBL7831709 0.89 EDNRB (0.71) 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 2 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