SCHEMBL9974155

SCHEMBL9974155

CC(C)OC(=O)N1CCC(C2Cc3cc(-c4ccc([S+](C)[O-])nc4)ccc3O2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.53
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL9974149 0.84 GPR119 (0.51) GPR119CLK2CLK3GSK3BDYRK1A
SCHEMBL9942277 0.83 GPR119 (0.58) GPR119
SCHEMBL9974215 0.83 GPR119 (0.53) GPR119CLK2CLK3GSK3BDYRK1A
SCHEMBL9940530 0.83 GPR119 (0.58) GPR119PIK3CAMTOR
SCHEMBL9974188 0.82 GPR119 (0.54) GPR119PIK3CAMTOR
SCHEMBL9937978 0.82 GPR119 (0.56) GPR119PIK3CAMTORCLK2CLK3
SCHEMBL9974206 0.81 GPR119 (0.60) GPR119
SCHEMBL9943188 0.80 GPR119 (0.53) GPR119
SCHEMBL9943221 0.80 GPR119 (0.62) GPR119
SCHEMBL9937417 0.80 GPR119 (0.59) GPR119PIK3CAMTOR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012080476-A1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed