SCHEMBL4293776

SCHEMBL4293776

CC(C)(C)OC(=O)N1CCC(C(CCn2cnc3ccc(C=O)cc32)n2cnc3ccc(C=O)cc32)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.38
DPP4 P27487 1/20 0.37
GPR119 Q8TDV5 12/20 0.37
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
CDK9 P50750 1/20 0.35
IDO1 P14902 3/20 0.35

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
SCHEMBL4161504 0.83 GPR119 (0.46) HCAR1GPR119CLK2CLK3GSK3B
SCHEMBL4169160 0.76 GPR119 (0.46) HCAR1GPR119
SCHEMBL4297154 0.76 PRPS1 (0.42) DPP4GPR119IDO1
SCHEMBL31588731 0.70 DPP4 (0.37) DPP4GPR119CLK2CLK3GSK3B
SCHEMBL14851772 0.69 MAPT (0.47) GPR119
SCHEMBL5780128 0.69 FGFR1 (0.36) HCAR1
SCHEMBL30441999 0.69 FGFR1 (0.36) HCAR1
SCHEMBL28689236 0.69 POLB (0.39) DYRK1ACLK4DYRK1B
SCHEMBL24752971 0.68 GPR119 (0.42) HCAR1DPP4GPR119
SCHEMBL30120002 0.68 GPR119 (0.42) HCAR1DPP4GPR119

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-2009079001-A1 BICYCLIC HETEROARYL-SUBSTITUTED IMIDAZOLES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 WO disclosed