SCHEMBL6678402

SCHEMBL6678402

CCC1CC(=O)N(Cc2ccc(NC(=O)c3ccno3)cc2)N=C1c1ccc(OC)c(OC(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.41
PDE4B Q07343 12/20 0.41
PDE4A P27815 10/20 0.41
PDE4C Q08493 10/20 0.41
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6679918 0.97 PDE4D (0.41) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL6679903 0.94 PDE4D (0.46) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL6678984 0.91 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL6682550 0.90 PDE4D (0.41) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL6677546 0.90 MEN1 (0.40) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL6675734 0.90 PDE4A (0.49) PDE4DPDE4BPDE4APDE4C
SCHEMBL6676281 0.90 PDE4D (0.41) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL6675315 0.90 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL6675637 0.90 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL6661723 0.89 TSHR (0.47) PDE4DPDE4BPDE4APDE4CMEN1

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