SCHEMBL3342818

SCHEMBL3342818

Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1CN

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.54
PDE4D Q08499 3/20 0.49
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
HRH3 Q9Y5N1 1/20 0.48
CHEK2 O96017 1/20 0.48
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 1/20 0.45
KDM1A O60341 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
DPP4 P27487 1/20 0.43

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
SCHEMBL31269796 0.91 GPR119 (0.54) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL215713 0.85 GPR119 (0.57) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL31270222 0.85 GPR119 (0.48) GPR119PDE4BHRH3CHEK2
Hydrochloric Acid SCHEMBL9013879 0.84 GPR119 (0.56) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL848331 0.83 GPR119 (0.57) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL3342725 0.82 GPR119 (0.61) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL7404751 0.82 GPR119 (0.56) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL7406884 0.82 GPR119 (0.56) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL24117863 0.82 GPR119 (0.56) GPR119HRH3CHEK2EPHX2DPP4
SCHEMBL13637112 0.81 GPR119 (0.58) GPR119PDE4DPDE4APDE4BPDE4C

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
WO-2010048149-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-04-29 WO disclosed
WO-2010048149-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-04-29 WO disclosed