SCHEMBL3352185

SCHEMBL3352185

Cn1c(=O)ccc2ccc(F)c(OC[C@H]3CC[C@H](NC(=O)O)CC3)c21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.39
HPGD P15428 1/20 0.37
SSTR4 P31391 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
PDE4B Q07343 1/20 0.35
DUT P33316 3/20 0.34
FFAR4 Q5NUL3 1/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
BRD4 O60885 1/20 0.33
ACACB O00763 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
SCHEMBL3352192 1.00 LRRK2 (0.39) LRRK2HPGDSSTR4MAPK8MAPK9
SCHEMBL3345752 0.85 LRRK2 (0.39) LRRK2
SCHEMBL3345749 0.85 LRRK2 (0.39) LRRK2
SCHEMBL3345353 0.85 LRRK2 (0.41) LRRK2HPGDSSTR4MAPK8MAPK9
SCHEMBL3345358 0.85 LRRK2 (0.41) LRRK2HPGDSSTR4MAPK8MAPK9
SCHEMBL3378674 0.82 TLR9 (0.40) LRRK2DUTBRD4
SCHEMBL3347090 0.77 RORC (0.40) ACACB
SCHEMBL3347085 0.77 RORC (0.40) ACACB
SCHEMBL3345689 0.77 LRRK2 (0.37) LRRK2SSTR4
SCHEMBL3345692 0.77 LRRK2 (0.37) LRRK2SSTR4

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