SCHEMBL3712937

SCHEMBL3712937

CC(C)COC(=O)N1CCC(Oc2ccc(F)c3cccnc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.47
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
CYP2C9 P11712 1/20 0.41
HRH1 P35367 1/20 0.41
SLC6A15 Q9H2J7 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MPI P34949 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3720714 0.89 GPR119 (0.47) GPR119TLR9TLR8TLR7HRH1
SCHEMBL3717758 0.83 TLR9 (0.47) GPR119TLR9TLR8TLR7JAK2
SCHEMBL2774377 0.83 GPR119 (0.52) GPR119
SCHEMBL3708950 0.83 GPR119 (0.45) GPR119HRH1
Hydrochloric Acid SCHEMBL2777276 0.81 GPR119 (0.39) GPR119HRH3CYP2C9SLC6A15KDM4E
SCHEMBL3648875 0.80 HRH1 (0.46) GPR119HRH1SLC6A15
SCHEMBL3709889 0.79 GPR119 (0.45) GPR119TLR9TLR8TLR7HRH1
SCHEMBL2774529 0.79 CCR1 (0.41) GPR119KMT2AL3MBTL1
SCHEMBL3651433 0.78 HRH1 (0.44) GPR119HRH1
SCHEMBL3711292 0.77 HRH1 (0.51) CYP2C9HRH1

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