SCHEMBL3713593

SCHEMBL3713593

COC(=O)/C=C/c1ccc2cc(Br)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.43
PDE4D Q08499 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
GPR119 Q8TDV5 9/20 0.40
KDM1A O60341 1/20 0.40
USP30 Q70CQ3 1/20 0.39
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNB3 P54284 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNG7 P62955 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNG1 Q06432 1/20 0.38

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
SCHEMBL3717083 1.00 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3710011 0.87 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3713595 0.86 GPR119 (0.39) GPR119
SCHEMBL2850831 0.83 BACE1 (0.44) USP30
SCHEMBL2850829 0.83 BACE1 (0.44) USP30
SCHEMBL3710671 0.82 PDE4B (0.46) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3715194 0.79 PDE4D (0.47) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3055131 0.78 GPR119 (0.47) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL1571126 0.77 GPR119 (0.45) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL1318424 0.75 NPBWR1 (0.45) PDE4BPDE4DPDE4APDE4CGPR119

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