SCHEMBL3927520

SCHEMBL3927520

CCOC(=O)c1ccc(N2CCc3c(OC4CCN(C(=O)OCC(C)C)CC4)cccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.58
NPY2R P49146 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PDE4B Q07343 1/20 0.38
KDM1A O60341 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 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
SCHEMBL3934710 0.88 GPR119 (0.58) GPR119HRH3KDM1A
SCHEMBL4490826 0.88 GPR119 (0.71) GPR119PDE4BKDM1APDE4DALDH1A1
SCHEMBL3928840 0.88 GPR119 (0.55) GPR119NPY2RPDE4BALDH1A1MAPT
SCHEMBL4102858 0.86 GPR119 (0.60) GPR119KDM1A
SCHEMBL3938260 0.85 GPR119 (0.79) GPR119
SCHEMBL3931348 0.85 GPR119 (0.59) GPR119HRH3KDM1A
SCHEMBL3929937 0.85 GPR119 (0.61) GPR119KDM1A
SCHEMBL3939845 0.84 GPR119 (0.54) GPR119ALDH1A1LMNASMN1; SMN2
SCHEMBL3930276 0.80 GPR119 (0.54) GPR119NPY2RHRH3PDE4BALDH1A1
SCHEMBL3930850 0.77 GPR119 (0.61) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043744-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2009-04-08 EP claimed
WO-2008008887-A2 GPR119 AGONISTS FOR TREATING METABOLIC DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-17 WO claimed
EP-2043744-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2009-04-08 EP disclosed
WO-2008008895-A1 GPR119 AGONISTS FOR THE TREATMENT OF DIABETES AND RELATED DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-17 WO disclosed
WO-2008008887-A2 GPR119 AGONISTS FOR TREATING METABOLIC DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-17 WO disclosed