SCHEMBL3342813

SCHEMBL3342813

Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.55
HRH3 Q9Y5N1 1/20 0.52
CHEK2 O96017 1/20 0.52
ALDH1A1 P00352 1/20 0.46
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45

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
SCHEMBL1134253 0.89 GPR119 (0.55) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL10190237 0.88 USP30 (0.43) GPR119HRH3CHEK2ALDH1A1PDE4B
SCHEMBL23086729 0.88 GPR119 (0.54) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL215713 0.84 GPR119 (0.57) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL848331 0.84 GPR119 (0.57) GPR119HRH3CHEK2ALDH1A1PDE4A
Hydrochloric Acid SCHEMBL9013879 0.83 GPR119 (0.56) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL7406884 0.83 GPR119 (0.56) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL7404751 0.83 GPR119 (0.56) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL13637112 0.82 GPR119 (0.58) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL7389934 0.82 GPR119 (0.48) GPR119HRH3CHEK2ALDH1A1PDE4B

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