SCHEMBL3709889

SCHEMBL3709889

Cc1cc(OC2CCN(C(=O)OCC(C)C)CC2)c2ncccc2c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.45
HRH1 P35367 11/20 0.44
KCNH2 Q12809 11/20 0.44
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43

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
SCHEMBL3708950 0.90 GPR119 (0.45) GPR119HRH1KCNH2
SCHEMBL3648875 0.90 HRH1 (0.46) GPR119HRH1KCNH2
SCHEMBL3651433 0.90 HRH1 (0.44) GPR119HRH1KCNH2
SCHEMBL3711292 0.89 HRH1 (0.51) HRH1KCNH2
SCHEMBL3714939 0.86 GPR119 (0.46) GPR119TLR9TLR8TLR7
SCHEMBL3715446 0.86 HRH1 (0.47) HRH1KCNH2
SCHEMBL3718501 0.86 HRH1 (0.51) HRH1KCNH2
SCHEMBL3645139 0.86 HRH1 (0.62) HRH1KCNH2
SCHEMBL3716534 0.86 HRH1 (0.45) HRH1KCNH2TLR9TLR8TLR7
SCHEMBL3647335 0.85 HRH1 (0.59) HRH1KCNH2

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