SCHEMBL7763282

SCHEMBL7763282

COc1cc(Cc2ccccc2)nc(OC)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.49
HTT P42858 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
LTA4H P09960 1/20 0.42
POLB P06746 1/20 0.40
BRD4 O60885 2/20 0.39
FAAH O00519 1/20 0.39
CES1 P23141 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL17623899 0.83 PDE2A (0.49) PDE2AHTTSLC6A2SLC6A4SLC6A3
SCHEMBL17608918 0.83 PDE2A (0.49) PDE2AHTTSLC6A2SLC6A4SLC6A3
SCHEMBL19317586 0.81 PDE2A (0.47) PDE2AHTTSLC6A2SLC6A4SLC6A3
SCHEMBL30215796 0.75 PDE2A (0.71) PDE2AHTTSLC6A3ALDH1A1MEN1
SCHEMBL10272488 0.74 LMNA (0.47) ALDH1A1LMNATDP1MEN1MAPT
SCHEMBL6343990 0.74 LMNA (0.43) ALDH1A1LMNATDP1L3MBTL1NPC1
SCHEMBL5229072 0.74 BRD4 (0.49) PDE2AHTTALDH1A1LTA4HBRD4
SCHEMBL10846707 0.73 LMNA (0.46) ALDH1A1LMNATDP1MEN1MAPT
SCHEMBL16815455 0.73 LMNA (0.50) ALDH1A1LMNATDP1L3MBTL1NPC1
SCHEMBL1569182 0.73 BRD4 (0.62) PDE2AHTTALDH1A1MAPTBRD4

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
EP-1097143-A1 METHOD FOR PREPARING 5-(1-METHYLETHYL)-6-(PHENYLMETHYL)PYRIMIDINE-2,4(1H,3H)-DIONE FINORGA SA (FR) 2001-05-09 EP disclosed
WO-2000003999-A1 METHOD FOR PREPARING 5-(1-METHYLETHYL)-6-(PHENYLMETHYL)PYRIMIDINE-2,4(1H,3H)-DIONE SANOFI-SYNTHELABO (FR) 2000-01-27 WO disclosed