SCHEMBL5202632

SCHEMBL5202632

COCCNc1ccc(-n2ncc3c(OC4CCN(C(=O)O)CC4)ncnc32)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.49
CYP2C9 P11712 1/20 0.49
KCNH2 Q12809 1/20 0.49
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
NR2F2 P24468 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
ERBB2 P04626 3/20 0.41
GCK P35557 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL13685456 0.92 GPR119 (0.51) GPR119CYP2C9KCNH2ALDH1A1LMNA
SCHEMBL390438 0.90 GPR119 (0.62) GPR119CYP2C9KCNH2ALDH1A1LMNA
SCHEMBL391174 0.82 GPR119 (0.64) GPR119CYP2C9KCNH2ALDH1A1LMNA
SCHEMBL386631 0.81 GPR119 (0.62) GPR119CYP2C9KCNH2ALDH1A1LMNA
SCHEMBL5665757 0.79 GPR119 (0.65) GPR119CYP2C9KCNH2ALDH1A1LMNA
SCHEMBL27747902 0.78 GPR119 (0.62) GPR119CYP2C9KCNH2ALDH1A1LMNA
SCHEMBL390792 0.78 GPR119 (0.69) GPR119CYP2C9KCNH2HIF1AKDM4E
SCHEMBL1071139 0.77 GPR119 (0.62) GPR119CYP2C9KCNH2ALDH1A1LMNA
SCHEMBL389560 0.77 GPR119 (0.65) GPR119CYP2C9KCNH2ALDH1A1LMNA
SCHEMBL389426 0.77 GPR119 (0.58) GPR119CYP2C9KCNH2ALDH1A1LMNA

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-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