SCHEMBL3345752

SCHEMBL3345752

Cn1c(=O)cnc2ccc(F)c(OCC3CCC(NC(=O)O)CC3)c21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.39
GRIN2B Q13224 4/20 0.36
HRH3 Q9Y5N1 2/20 0.35
RORC P51449 1/20 0.35
CRHR1 P34998 2/20 0.34
CRHR2 Q13324 1/20 0.34
MAPK14 Q16539 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
PARG Q86W56 1/20 0.34

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
SCHEMBL3345749 1.00 LRRK2 (0.39) LRRK2GRIN2BHRH3RORCCRHR1
SCHEMBL3345353 0.92 LRRK2 (0.41) LRRK2GRIN2BHRH3RORCCYP4F2
SCHEMBL3345358 0.92 LRRK2 (0.41) LRRK2GRIN2BHRH3RORCCYP4F2
SCHEMBL3352185 0.85 LRRK2 (0.39) LRRK2
SCHEMBL3352192 0.85 LRRK2 (0.39) LRRK2
SCHEMBL3347090 0.84 RORC (0.40) HRH3RORCCRHR1CRHR2
SCHEMBL3347085 0.84 RORC (0.40) HRH3RORCCRHR1CRHR2
SCHEMBL3352394 0.83 KCNH2 (0.41) LRRK2RORC
SCHEMBL3352400 0.83 KCNH2 (0.41) LRRK2RORC
SCHEMBL3345689 0.79 LRRK2 (0.37) LRRK2CRHR1CYP4F2CYP4A11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed
WO-2010045987-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUIN0LIN-2-0NES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed