SCHEMBL3345692

SCHEMBL3345692

Cn1c(=O)ccc2nccc(OCC3CCC(NC(=O)O)CC3)c21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.37
KDM4C Q9H3R0 4/20 0.37
KDM2B Q8NHM5 1/20 0.37
CRHR1 P34998 1/20 0.36
IRAK4 Q9NWZ3 3/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
KDM5A P29375 1/20 0.35
SSTR4 P31391 1/20 0.35
KCNH2 Q12809 1/20 0.35
GUCY1B2 O75343 1/20 0.35
GUCY1A2 P33402 1/20 0.35
GUCY1A1 Q02108 1/20 0.35
GUCY1B1 Q02153 1/20 0.35
KMO O15229 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
SCHEMBL3345689 1.00 LRRK2 (0.37) LRRK2KDM4CKDM2BCRHR1IRAK4
SCHEMBL3347090 0.83 RORC (0.40) CRHR1KCNH2
SCHEMBL3345353 0.83 LRRK2 (0.41) LRRK2CYP4F2CYP4A11SSTR4KCNH2
SCHEMBL3347085 0.83 RORC (0.40) CRHR1KCNH2
SCHEMBL3345358 0.83 LRRK2 (0.41) LRRK2CYP4F2CYP4A11SSTR4KCNH2
SCHEMBL3352400 0.82 KCNH2 (0.41) LRRK2SSTR4KCNH2
SCHEMBL3352394 0.82 KCNH2 (0.41) LRRK2SSTR4KCNH2
SCHEMBL3345234 0.79 CNR2 (0.34) KDM4CKDM2BIRAK4KDM5AKMO
SCHEMBL3345749 0.79 LRRK2 (0.39) LRRK2CRHR1CYP4F2CYP4A11
SCHEMBL3345752 0.79 LRRK2 (0.39) 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-2010045987-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUIN0LIN-2-0NES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed
WO-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed