SCHEMBL3718944

SCHEMBL3718944

CCc1ccc2cccc(OC3CCN(C(=O)OCC(C)C)CC3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.42
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
MCHR1 Q99705 8/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
PIK3CD O00329 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL3720029 0.88 KDM4E (0.45) GPR119PIM1PIM2MCHR1JAK2
SCHEMBL3713722 0.84 KDM1A (0.50) GPR119PIM1PIM2
SCHEMBL3714939 0.80 GPR119 (0.46) GPR119JAK2JAK1TYK2JAK3
SCHEMBL3717758 0.77 TLR9 (0.47) GPR119JAK2JAK1PIK3CD
SCHEMBL3711292 0.76 HRH1 (0.51)
SCHEMBL14746764 0.76 SCD (0.48) GPR119
SCHEMBL3712949 0.74 GPR119 (0.44) GPR119PIK3CD
SCHEMBL3715196 0.74 GPR119 (0.38) GPR119JAK2JAK1PIK3CD
SCHEMBL3709889 0.74 GPR119 (0.45) GPR119
SCHEMBL3710674 0.74 GPR119 (0.43) GPR119PIK3CD

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