SCHEMBL7510987

SCHEMBL7510987

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DAGLA Q9Y4D2 3/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
GRIK1 P39086 1/20 0.35
FAAH O00519 1/20 0.35
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7851968 0.92 DAGLA (0.37) MEN1KMT2ADAGLAPDE4APDE4B
SCHEMBL7511580 0.89 LMNA (0.42) LMNAMEN1KMT2ADAGLAPDE4A
SCHEMBL7355527 0.84 MEN1 (0.43) LMNAMEN1KMT2ADAGLAPDE4A
SCHEMBL7843449 0.82 PDE4A (0.40) LMNAMEN1KMT2ADAGLAPDE4A
SCHEMBL6992446 0.82 LMNA (0.38) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL6995428 0.81 DRD2 (0.38) LMNAMEN1KMT2APDE4APDE4B
SCHEMBL6993975 0.79 LMNA (0.36) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL7885859 0.76 RIPK2 (0.43) LMNAMEN1KMT2APDE4APDE4B
SCHEMBL7885863 0.75 MEN1 (0.42) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL7383720 0.74 FAAH (0.33) GRIK1FAAHSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107968-B1 DIHYDRO-[1,2,3]TRIAZOLO-[4,5-D]PYRIMIDIN-7-ONE BAYER AG (DE) 2002-11-13 EP disclosed
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