SCHEMBL3710012

SCHEMBL3710012

CC(C)COC(=O)N1CCC(Oc2cc(Br)cc3ccc(C=O)nc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.41
PIK3CD O00329 1/20 0.36
IKBKB O14920 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
KIT P10721 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
PDE4B Q07343 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33

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
SCHEMBL3713595 0.88 GPR119 (0.39) GPR119PIK3CDIKBKBTLR9TLR8
SCHEMBL3710674 0.88 GPR119 (0.43) GPR119PIK3CDIKBKBTLR9TLR8
SCHEMBL3710011 0.84 PDE4B (0.44) GPR119PDE4B
SCHEMBL3651433 0.83 HRH1 (0.44) GPR119
SCHEMBL3715196 0.82 GPR119 (0.38) GPR119PIK3CDIKBKBTLR9TLR8
SCHEMBL3916386 0.81 KIT (0.37) KCNK3KCNK9KIT
SCHEMBL3720029 0.73 KDM4E (0.45) GPR119PIK3CDJAK2JAK1
SCHEMBL3708950 0.73 GPR119 (0.45) GPR119
SCHEMBL3709889 0.73 GPR119 (0.45) GPR119TLR9TLR8TLR7
SCHEMBL14746764 0.73 SCD (0.48) GPR119IKBKB

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