SCHEMBL6996007

SCHEMBL6996007

CC(CCCc1ccccc1)n1ncc(OC(N)=O)c1N

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
LMNA P02545 1/20 0.40
LPAR1 Q92633 2/20 0.37
GRIK1 P39086 1/20 0.36
FAAH O00519 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7381725 0.92 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DLPAR1
SCHEMBL6992446 0.88 LMNA (0.38) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7893458 0.82 RIPK2 (0.46) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7511580 0.81 LMNA (0.42) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7378633 0.78 TSHR (0.49) PDE4APDE4BPDE4CPDE4DCYP2D6
SCHEMBL6997649 0.77 LMNA (0.38) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7843449 0.77 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7361207 0.75 KMT2A (0.45) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6997571 0.74 ALDH1A1 (0.38) LMNAFAAHKMT2AMEN1
SCHEMBL27481625 0.73 L3MBTL1 (0.34) LMNAKMT2AMEN1

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-0973774-B1 1,5-DIHYDRO-PYRAZOLO 3,4-D]-PYRIMIDINONE DERIVATIVES BAYER AG (DE) 2003-01-22 EP disclosed
EP-0973774-A1 1,5-DIHYDRO-PYRAZOLO 3,4-D]-PYRIMIDINONE DERIVATIVES BAYER AG (DE) 2000-01-26 EP disclosed
WO-1998040384-A1 1,5-DIHYDRO-PYRAZOLO[3,4-D]-PYRIMIDINONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-17 WO disclosed