SCHEMBL5608178

SCHEMBL5608178

CCOC(=O)c1nn(CC)c(=O)c(Nc2cnccc2C)c1C(C)=O.CCn1nc(C(=O)OC(C)C)c(C(C)=O)c(Nc2cccnc2)c1=O.CCn1nc(C(=O)OC(C)C)c(C(C)=O)c(Nc2cncc3ccccc23)c1=O.CCn1nc(C(=O)OCc2ccccc2)c(C(C)=O)c(Nc2cccnc2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.35
TRPV1 Q8NER1 1/20 0.33
BRAF P15056 2/20 0.32
LRRK2 Q5S007 1/20 0.32
MAPT P10636 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
S1PR3 Q99500 1/20 0.31
EIF2AK3 Q9NZJ5 1/20 0.31
NAMPT P43490 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
UBE2N P61088 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1995355 0.84 PDE4B (0.41) PDE4BTRPV1MAPTPDE4APDE4C
SCHEMBL1997221 0.83 PDE4B (0.42) PDE4BMAPTKDM4EMEN1ALDH1A1
SCHEMBL1997288 0.82 PDE4B (0.46) PDE4BLRRK2MAPTPDE4APDE4C
SCHEMBL5607932 0.82 TRPV1 (0.30) TRPV1
SCHEMBL5607919 0.81 BRAF (0.37) PDE4BBRAFMAPTEIF2AK3KDM4E
SCHEMBL1994381 0.81 PDE4B (0.42) PDE4BMAPTPDE4APDE4CPDE4D
SCHEMBL1993517 0.80 PDE4B (0.46) PDE4BTRPV1MAPTNAMPTMEN1
SCHEMBL1992771 0.79 PDE4B (0.39) PDE4BTRPV1MAPTKDM4EMEN1
SCHEMBL1997026 0.78 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL1993863 0.78 PDE4B (0.46) PDE4BMAPTPDE4APDE4CPDE4D

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-1758869-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2007-03-07 EP claimed
WO-2005123692-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 WO claimed