SCHEMBL8315877

SCHEMBL8315877

CC(C)N(C)c1cccc2[c]cccc12

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.30

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
SCHEMBL226938 0.82 CHEK1 (0.42) CA2
SCHEMBL23458116 0.79 CA2 (0.42) CA2
SCHEMBL29862159 0.79 CA2 (0.42) CA2
SCHEMBL4014825 0.75 CRHR1 (0.37)
SCHEMBL297736 0.74 AR (0.33)
SCHEMBL297647 0.72 CRHR1 (0.36)
SCHEMBL29862152 0.72 SIGMAR1 (0.55)
SCHEMBL18387836 0.72 SIGMAR1 (0.55)
SCHEMBL9830323 0.71 ELANE (0.32)
SCHEMBL8312100 0.71 GABRA1 (0.40) CA2

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
CN-1061652-C Endotheliomycine receptor antagonist MERCK PATENT GMBH (DE) 2001-02-07 CN disclosed
EP-0733626-B1 N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists MERCK PATENT GMBH (DE) 1999-01-13 EP disclosed
US-5726194-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-10 US disclosed
CN-1141919-A Endotheliomycine receptor antagonist MOOK PATENT AG (DE) 1997-02-05 CN disclosed
EP-0733626-A1 N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists MERCK PATENT GmbH (DE) 1996-09-25 EP disclosed