SCHEMBL6656791

SCHEMBL6656791

CCC1OC(=O)N(Cc2ccc(NC(=O)c3cc[nH]n3)cc2)N=C1c1ccc(OC(F)F)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.39
PDE4A P27815 10/20 0.39
PDE4B Q07343 10/20 0.39
PDE4C Q08493 10/20 0.39
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
CPT1B Q92523 1/20 0.37
ENPP1 P22413 1/20 0.36
PDE3B Q13370 3/20 0.36
PDE3A Q14432 3/20 0.36
TP53 P04637 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 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
SCHEMBL6657679 0.97 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CCPT2
SCHEMBL6656784 0.93 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL6655625 0.91 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL6660162 0.90 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL6660555 0.90 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL6658460 0.89 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL6654873 0.89 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL6661400 0.89 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL6662424 0.89 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CENPP1
SCHEMBL6683831 0.89 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 WO disclosed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP disclosed