SCHEMBL4808073

SCHEMBL4808073

CCc1nc(N)cc2c1C(=O)OCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.39
REN P00797 7/20 0.38
GAA P10253 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
DYRK2 Q92630 1/20 0.32

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
SCHEMBL4749586 0.89 DYRK1A (0.35) DYRK1AGAAHEXAHEXBMAOA
SCHEMBL4749301 0.82 MAOA (0.34) DYRK1AGAADYRK2DYRK1BDHFR
SCHEMBL4749246 0.77 DYRK1A (0.36) DYRK1AGAAMAOAMAOBPGR
SCHEMBL4746992 0.77 MAOA (0.34) DYRK1AGAAMAOAMAOBPGR
SCHEMBL4749400 0.71 MAOA (0.35) GAAMAOAMAOBPGR
SCHEMBL4072001 0.71 BACE1 (0.40) GAAMAOAMAOB
SCHEMBL4064490 0.71 GLP1R (0.34) HEXAHEXBMAOAMAOB
SCHEMBL4070347 0.71 GAA (0.43) DYRK1AGAADYRK2DYRK1BMAOA
SCHEMBL4749132 0.71 MAOA (0.37) GAAMAOAMAOBPGR
Hydrochloric Acid SCHEMBL4250086 0.70 MAOA (0.35) GAAMAOAMAOBPGR

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-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO claimed