SCHEMBL3714939

SCHEMBL3714939

Cc1cnc2c(OC3CCN(C(=O)OCC(C)C)CC3)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.46
PIK3CD O00329 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39
PARP1 P09874 1/20 0.38
PDE4B Q07343 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
SCHEMBL3709889 0.86 GPR119 (0.45) GPR119TLR9TLR8TLR7
SCHEMBL3720029 0.83 KDM4E (0.45) GPR119PIK3CDJAK2JAK1TYK2
SCHEMBL3714938 0.83 KDM1A (0.50) GPR119PIK3CDPDE4B
SCHEMBL3708950 0.81 GPR119 (0.45) GPR119
SCHEMBL3651433 0.80 HRH1 (0.44) GPR119
SCHEMBL3648875 0.80 HRH1 (0.46) GPR119
SCHEMBL3717758 0.80 TLR9 (0.47) GPR119PIK3CDJAK2JAK1TLR9
SCHEMBL3718944 0.80 GPR119 (0.42) GPR119PIK3CDJAK2JAK1TYK2
SCHEMBL3711292 0.79 HRH1 (0.51)
SCHEMBL3715446 0.77 HRH1 (0.47)

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