SCHEMBL8076548

SCHEMBL8076548

C[C@H](CCOc1ccc([C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(F)(F)C2)c(F)c1)C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 12/20 0.38
HRH1 P35367 12/20 0.38
GPR119 Q8TDV5 5/20 0.35
DPP4 P27487 3/20 0.33
DPP7 Q9UHL4 2/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL2897679 0.85 GPR119 (0.42) HRH2HRH1GPR119KCNH2
SCHEMBL2897674 0.85 GPR119 (0.42) HRH2HRH1GPR119KCNH2
SCHEMBL2897676 0.85 GPR119 (0.42) HRH2HRH1GPR119KCNH2
SCHEMBL8065616 0.83 HRH2 (0.41) HRH2HRH1GPR119DPP4DPP7
SCHEMBL3696786 0.82 GPR119 (0.50) GPR119
SCHEMBL2891416 0.82 GPR119 (0.50) GPR119
SCHEMBL10101202 0.80 HRH2 (0.36) HRH2HRH1DPP4DPP7KCNH2
SCHEMBL8066212 0.80 PTPN1 (0.37) HRH2HRH1GPR119
SCHEMBL8057985 0.79 HRH2 (0.35) HRH2HRH1GPR119
SCHEMBL865096 0.78 TRPA1 (0.37) HRH2HRH1DPP4DPP7KCNH2

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-2009034388-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2009-03-19 WO disclosed