SCHEMBL4747016

SCHEMBL4747016

CC(C)c1nc(Cl)cc2c1C(=O)OCC2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GLP1R P43220 2/20 0.32
PGR P06401 2/20 0.31

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
SCHEMBL4749246 0.82 DYRK1A (0.36) MAOAMAOBPGR
SCHEMBL4067976 0.80 MAOA (0.40) MAOAMAOBPGR
SCHEMBL4067369 0.80 MAOA (0.35) MAOAMAOBPGR
SCHEMBL4749301 0.77 MAOA (0.34) MAOAMAOBPGR
SCHEMBL4063663 0.77 MAOA (0.31) MAOAMAOBPGR
SCHEMBL4064490 0.74 GLP1R (0.34) MAOAMAOBGLP1R
SCHEMBL4787522 0.74 PKM (0.44)
SCHEMBL18238925 0.73 MAOA (0.36) MAOAMAOB
SCHEMBL4786331 0.72 PKM (0.42)
SCHEMBL4065469 0.71 ALDH1A1 (0.43) MAOAMAOBPGR

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