SCHEMBL3715196

SCHEMBL3715196

COC(=O)CCc1ccc2cc(Br)cc(OC3CCN(C(=O)OCC(C)C)CC3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.38
IKBKB O14920 1/20 0.35
PIK3CD O00329 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
RAB9A P51151 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ACACB O00763 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 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
SCHEMBL3714097 0.87 HRH1 (0.46)
SCHEMBL3715194 0.86 PDE4D (0.47) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL3710674 0.84 GPR119 (0.43) GPR119IKBKBPIK3CDTLR9TLR8
SCHEMBL3910456 0.83 HRH1 (0.35) GPR119
SCHEMBL3710012 0.82 GPR119 (0.41) GPR119IKBKBPIK3CDTLR9TLR8
SCHEMBL3713595 0.81 GPR119 (0.39) GPR119IKBKBPIK3CDTLR9TLR8
SCHEMBL3651433 0.80 HRH1 (0.44) GPR119
SCHEMBL3718944 0.74 GPR119 (0.42) GPR119PIK3CDJAK2JAK1
SCHEMBL3714095 0.74 PDE4D (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL3919075 0.73 HRH1 (0.42)

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-2010094643-A1 QUINOLINE DERIVATIVES AND THEIR USES FOR RHINITIS AND URTICARIA GLAXO GROUP LIMITED (GB) 2010-08-26 WO disclosed