SCHEMBL6692828

SCHEMBL6692828

CCC1OC(=O)N(CCc2ccc(NC(=O)c3c[nH]cn3)cc2)N=C1c1ccc(OC)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.40
PDE4B Q07343 9/20 0.40
PDE4C Q08493 9/20 0.40
PDE4D Q08499 9/20 0.40
PDE3B Q13370 4/20 0.40
PDE3A Q14432 4/20 0.40
CFTR P13569 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
ABCB1 P08183 3/20 0.36
ABCG2 Q9UNQ0 3/20 0.36
AXL P30530 1/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL6684573 0.94 PDE4D (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6843889 0.90 PDE4D (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6686338 0.90 PDE4D (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6688282 0.90 PDE4D (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6687107 0.89 PDE4D (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6657358 0.89 SMN1; SMN2 (0.49) PDE4APDE4BPDE4CPDE4DCFTR
SCHEMBL6659102 0.89 PDE4D (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6686947 0.88 INSR (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6686722 0.88 PDE4D (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6683785 0.88 PDE4D (0.38) PDE4APDE4BPDE4CPDE4DPDE3B

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