SCHEMBL6653049

SCHEMBL6653049

COc1ccc(C2=NN(Cc3cccc(NC(=O)c4cnco4)c3)C(=O)OC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.48
PDE4D Q08499 6/20 0.48
PDE4A P27815 5/20 0.48
PDE4C Q08493 5/20 0.48
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
MET P08581 1/20 0.48
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
IMPDH2 P12268 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
F2R P25116 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6658700 0.91 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6657264 0.90 TSHR (0.51) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6656492 0.88 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6683275 0.88 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6658998 0.87 PDE4B (0.63) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6686405 0.87 PDE4B (0.48) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6841795 0.87 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL146176 0.86 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6656003 0.86 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6837280 0.86 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CPDE3B

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