SCHEMBL7842567

SCHEMBL7842567

COc1ccc(C(=O)C(Cc2ccc(C)cc2)=C(C(=O)O)c2ccc3nsnc3c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.63

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
SCHEMBL7840804 1.00 EDNRA (0.63) EDNRA
SCHEMBL7842560 1.00 EDNRA (0.63) EDNRA
SCHEMBL7840805 1.00 EDNRA (0.63) EDNRA
SCHEMBL7838673 0.96 EDNRA (0.67) EDNRA
SCHEMBL7838675 0.96 EDNRA (0.67) EDNRA
SCHEMBL7843001 0.93 EDNRA (0.64) EDNRA
SCHEMBL7843006 0.93 EDNRA (0.64) EDNRA
SCHEMBL7840465 0.93 EDNRA (0.52) EDNRA
SCHEMBL7840466 0.93 EDNRA (0.52) EDNRA
SCHEMBL6315287 0.92 EDNRA (0.65) EDNRA

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 3 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
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