SCHEMBL4772385

SCHEMBL4772385

O=[N+]([O-])c1c(Nc2ccc(-c3nc[nH]n3)cc2)ncnc1N1CCC(Sc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.53
CNR1 P21554 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36

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
SCHEMBL389002 0.82 GPR119 (0.64) GPR119
SCHEMBL385801 0.79 GPR119 (0.81) GPR119CNR1
SCHEMBL1071590 0.79 GPR119 (0.52) GPR119
SCHEMBL390333 0.75 GPR119 (0.64) GPR119
SCHEMBL28757198 0.75 GPR119 (0.72) GPR119CNR1
SCHEMBL388979 0.74 GPR119 (0.62) GPR119
SCHEMBL390068 0.74 GPR119 (0.71) GPR119
SCHEMBL389056 0.72 GPR119 (0.72) GPR119
SCHEMBL388663 0.69 GPR119 (1.00) GPR119
SCHEMBL390339 0.69 GPR119 (0.73) GPR119

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-1927594-A1 1,2,3-Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia Arena Pharmaceuticals, Inc. (US) 2008-06-04 EP disclosed
EP-1758565-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES AND CONDITIONS RELATED THERETO AND FOR THE TREATMENT OF CONDITIONS AMELIORATED BY INCREASING A BLOOD GLP-1 LEVEL Arena Pharmaceuticals, Inc. (US) 2007-03-07 EP disclosed
WO-2006076231-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES AND CONDITIONS RELATED THERETO AND FOR THE TREATMENT OF CONDITIONS AMELIORATED BY INCREASING A BLOOD GLP-1 LEVEL ARENA PHARMACEUTICALS, INC. (US) 2006-07-20 WO disclosed