SCHEMBL8057985

SCHEMBL8057985

COC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(OCC[C@@H](C)C2CCNCC2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 6/20 0.35
HRH1 P35367 6/20 0.35
GPR119 Q8TDV5 2/20 0.35
ACACB O00763 2/20 0.34
PTPN1 P18031 1/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
S1PR3 Q99500 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
CACNA1B Q00975 1/20 0.32
PDK2 Q15119 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
SCHEMBL8066212 0.92 PTPN1 (0.37) HRH2HRH1GPR119PTPN1ITGB3
SCHEMBL8073128 0.91 HRH2 (0.36) HRH2HRH1ACACBITGB3ITGA2B
SCHEMBL8069233 0.85 HRH2 (0.35) HRH2HRH1GPR119ACACB
SCHEMBL8073649 0.84 ITGB3 (0.37) HRH2HRH1ITGB3ITGA2B
SCHEMBL8058055 0.83 ELANE (0.36) HRH2HRH1GPR119
SCHEMBL2897134 0.81 GPR119 (0.45) HRH2HRH1GPR119
SCHEMBL2897137 0.81 GPR119 (0.45) HRH2HRH1GPR119
SCHEMBL2897133 0.81 GPR119 (0.45) HRH2HRH1GPR119
SCHEMBL8072985 0.79 ITGB3 (0.49) HRH2HRH1ITGB3ITGA2BSLC6A4
SCHEMBL8076479 0.79 ITGB3 (0.49) HRH2HRH1ITGB3ITGA2BSLC6A4

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