SCHEMBL7851968

SCHEMBL7851968

CC(O)C(CCCc1ccccc1)n1nnc(OC(=O)O)c1N

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 3/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
GRIK1 P39086 1/20 0.36
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL7510987 0.92 LMNA (0.39) DAGLAPDE4APDE4BPDE4CPDE4D
SCHEMBL7843449 0.87 PDE4A (0.40) DAGLAPDE4APDE4BPDE4CPDE4D
SCHEMBL7355527 0.83 MEN1 (0.43) DAGLAPDE4APDE4BPDE4CPDE4D
SCHEMBL7511580 0.81 LMNA (0.42) DAGLAPDE4APDE4BPDE4CPDE4D
SCHEMBL7383720 0.79 FAAH (0.33) GRIK1SMN1; SMN2
SCHEMBL6992446 0.76 LMNA (0.38) PDE4APDE4BPDE4CPDE4DGRIK1
SCHEMBL6995428 0.75 DRD2 (0.38) PDE4APDE4BPDE4CPDE4DGRIK1
SCHEMBL7885859 0.74 RIPK2 (0.43) PDE4APDE4BPDE4CPDE4DGRIK1
SCHEMBL6993975 0.74 LMNA (0.36) PDE4APDE4BPDE4CPDE4DGRIK1
SCHEMBL7885863 0.73 MEN1 (0.42) PDE4APDE4BPDE4CPDE4DGRIK1

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-1107968-A2 DIHYDRO-[1,2,3]TRIAZOLO-[4,5-D]PYRIMIDIN-7-ONE BAYER AG (DE) 2001-06-20 EP disclosed
WO-2000012504-A2 DIHYDRO-[1,2,3]TRIAZOLO-[4,5-D]PYRIMIDIN-7-ONE BAYER AKTIENGESELLSCHAFT (DE) 2000-03-09 WO disclosed