SCHEMBL8069233

SCHEMBL8069233

C[C@H](CCOc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2N)c(F)c1)C1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 8/20 0.35
HRH1 P35367 8/20 0.35
GPR119 Q8TDV5 4/20 0.35
ELANE P08246 1/20 0.33
CTSC P53634 1/20 0.32
HRH3 Q9Y5N1 3/20 0.32
CMA1 P23946 1/20 0.32
ACACB O00763 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
F11 P03951 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32

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
SCHEMBL8073645 0.92 HRH2 (0.36) HRH2HRH1ELANE
SCHEMBL8080722 0.92 HRH2 (0.36) HRH2HRH1ELANE
SCHEMBL8058055 0.91 ELANE (0.36) HRH2HRH1GPR119ELANECMA1
SCHEMBL8066212 0.85 PTPN1 (0.37) HRH2HRH1GPR119
SCHEMBL8057985 0.85 HRH2 (0.35) HRH2HRH1GPR119ACACB
SCHEMBL8066147 0.83 ELANE (0.35) HRH2HRH1ELANECMA1F2
SCHEMBL8070465 0.79 SCN9A (0.36) HRH2HRH1GPR119CTSCF2
SCHEMBL8076548 0.77 HRH2 (0.38) HRH2HRH1GPR119
SCHEMBL2898078 0.77 GPR119 (0.42) HRH2HRH1GPR119ELANEHRH3
SCHEMBL2898073 0.77 GPR119 (0.42) HRH2HRH1GPR119ELANEHRH3

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