SCHEMBL7840662

SCHEMBL7840662

COc1ccc(C2(O)OC(=O)C(c3ccc4nsnc4c3)=C2Cc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.81
EDNRB P24530 15/20 0.81

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
SCHEMBL7839726 0.97 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7840363 0.95 EDNRA (0.76) EDNRAEDNRB
SCHEMBL7831037 0.93 EDNRA (0.79) EDNRAEDNRB
SCHEMBL7845328 0.91 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7841565 0.91 EDNRA (0.70) EDNRAEDNRB
SCHEMBL7843192 0.91 EDNRA (0.68) EDNRAEDNRB
SCHEMBL6320175 0.91 EDNRA (0.78) EDNRAEDNRB
SCHEMBL7838325 0.90 EDNRA (0.75) EDNRAEDNRB
SCHEMBL7838621 0.90 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7842286 0.90 EDNRA (0.69) EDNRAEDNRB

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
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
WO-1998042702-A1 ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1998-10-01 WO disclosed