SCHEMBL3710671

SCHEMBL3710671

Cc1ccc2cc(Br)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.46
PDE4D Q08499 3/20 0.46
PDE4A P27815 2/20 0.46
PDE4C Q08493 2/20 0.46
GPR119 Q8TDV5 11/20 0.46
KDM1A O60341 1/20 0.43
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
USP30 Q70CQ3 1/20 0.42
CHEK2 O96017 1/20 0.42

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
SCHEMBL3710011 0.87 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3055131 0.85 GPR119 (0.47) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3706690 0.84 KDM1A (0.52) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL1571126 0.84 GPR119 (0.45) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3710674 0.83 GPR119 (0.43) PDE4BGPR119
SCHEMBL3713593 0.82 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3715194 0.82 PDE4D (0.47) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3717083 0.82 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL1318424 0.82 NPBWR1 (0.45) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL2848570 0.80 BACE1 (0.48) GPR119

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