SCHEMBL457656

SCHEMBL457656

CC(C)(C)OC(=O)N1CCC(F)(COc2cnc(Cl)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.47
POLB P06746 1/20 0.42
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
USP1 O94782 2/20 0.41

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
SCHEMBL457626 0.87 GPR119 (0.46) GPR119POLBOPRD1OPRK1
SCHEMBL22310762 0.78 POLB (0.51) GPR119POLB
SCHEMBL26931991 0.78 POLB (0.45) GPR119POLBOPRD1OPRK1
SCHEMBL27002699 0.77 GPR119 (0.48) GPR119POLB
SCHEMBL457651 0.77 GPR119 (0.56) GPR119
SCHEMBL29939711 0.77 PKM (0.52) GPR119
SCHEMBL24548405 0.77 GPR119 (0.41) GPR119USP1
SCHEMBL13351454 0.76 USP2 (0.46) GPR119OPRD1OPRK1USP1
SCHEMBL26931893 0.76 PDE4A (0.45) GPR119POLBOPRD1OPRK1
SCHEMBL16892078 0.75 CYP3A4 (0.48) GPR119OPRD1OPRK1

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-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed