SCHEMBL3342822

SCHEMBL3342822

COC(=O)c1cnc(OC2CCN(C(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.61
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
CACNB4 O00305 1/20 0.44
CACNA1A O00555 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNG3 O60359 1/20 0.44
CACNA1F O60840 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNB3 P54284 1/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNG7 P62955 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNB1 Q02641 1/20 0.44
CACNG1 Q06432 1/20 0.44
CACNB2 Q08289 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
CACNA1E Q15878 1/20 0.44

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
SCHEMBL3344956 0.88 GPR119 (0.64) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL20137797 0.87 GPR119 (0.67) GPR119NPBWR1MCHR1CACNB4CACNA1A
SCHEMBL23311669 0.84 GPR119 (0.67) GPR119NPBWR1MCHR1CACNB4CACNA1A
SCHEMBL21607020 0.83 GPR119 (0.58) GPR119NPBWR1MCHR1
SCHEMBL30263276 0.83 GPR119 (0.58) GPR119NPBWR1MCHR1
SCHEMBL7401143 0.83 GPR119 (0.62) GPR119NPBWR1MCHR1
SCHEMBL2548353 0.82 GPR119 (0.65) GPR119NPBWR1MCHR1CACNB4CACNA1A
SCHEMBL30201903 0.82 GPR119 (0.65) GPR119NPBWR1MCHR1CACNB4CACNA1A
SCHEMBL5267887 0.82 GPR119 (0.68) GPR119NPBWR1MCHR1CACNB4CACNA1A
SCHEMBL64030 0.81 GPR119 (0.53) 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 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