SCHEMBL4747767

SCHEMBL4747767

CCn1ccc2cc(C)nc(C3CC3)c2c1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.37
PDE2A O00408 1/20 0.34
HTR1A P08908 3/20 0.33
DRD2 P14416 3/20 0.33
HTR2A P28223 3/20 0.33
LYN P07948 1/20 0.32
SRC P12931 1/20 0.32
DHODH Q02127 1/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
CHEK1 O14757 1/20 0.31
FLT3 P36888 1/20 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
SCHEMBL4747715 0.95 PDE2A (0.37) GRM2PDE2AHTR1ADRD2HTR2A
SCHEMBL4750217 0.94 PDE2A (0.37) GRM2PDE2ASRC
SCHEMBL4750004 0.80 GRM2 (0.39) GRM2
SCHEMBL4747299 0.77 GRM2 (0.38) GRM2
SCHEMBL4750623 0.76 GRM2 (0.40) GRM2HTR1ADRD2HTR2A
SCHEMBL4747263 0.75 GRM2 (0.36) GRM2
SCHEMBL5815996 0.71 ALDH1A1 (0.37) GRM2
SCHEMBL4750023 0.69 HSF1 (0.41) GRM2
SCHEMBL10232910 0.69 KDM4E (0.41) GRM2HTR2A
SCHEMBL4788109 0.69 MAPK9 (0.44)

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-2008123755-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTAM TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO claimed
WO-2008123755-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTAM TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO disclosed