SCHEMBL8065616

SCHEMBL8065616

C[C@H](CCOc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(F)(F)C2)cc1)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 12/20 0.41
HRH1 P35367 12/20 0.41
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
DPP4 P27487 3/20 0.35
KCNH2 Q12809 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
ACACB O00763 1/20 0.34

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
SCHEMBL2897714 0.85 ACACB (0.40) HRH2HRH1ACACB
SCHEMBL2897713 0.85 ACACB (0.40) HRH2HRH1ACACB
SCHEMBL2898414 0.83 GPR119 (0.40) HRH2HRH1GPR119KCNH2ACACB
SCHEMBL2898412 0.83 GPR119 (0.40) HRH2HRH1GPR119KCNH2ACACB
SCHEMBL8076548 0.83 HRH2 (0.38) HRH2HRH1GPR119DPP4KCNH2
SCHEMBL8073864 0.83 DPP4 (0.41) HRH2HRH1DPP4KCNH2DPP7
SCHEMBL8073128 0.74 HRH2 (0.36) HRH2HRH1ITGB3ITGA2BACACB
SCHEMBL8073649 0.74 ITGB3 (0.37) HRH2HRH1ITGB3ITGA2B
SCHEMBL8076479 0.74 ITGB3 (0.49) HRH2HRH1ITGB3ITGA2B
SCHEMBL8072985 0.74 ITGB3 (0.49) HRH2HRH1ITGB3ITGA2B

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