SCHEMBL2882309

SCHEMBL2882309

COc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1OC(F)F

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.67
PDE4B Q07343 6/20 0.67
PDE4A P27815 5/20 0.67
PDE4C Q08493 5/20 0.67
MAPT P10636 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 2/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP2B6 P20813 1/20 0.53
ABCB11 O95342 1/20 0.52
PKM P14618 1/20 0.51

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
SCHEMBL2889399 0.95 PDE4D (0.64) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL30084822 0.89 PDE4D (0.56) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL2889838 0.89 PDE4D (0.56) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL30084831 0.88 PDE4D (0.80) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7371319 0.88 PDE4D (0.80) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL2887392 0.86 PDE4D (0.66) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL7534706 0.83 PDE4D (0.80) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL30084836 0.83 PDE4D (0.80) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL30084850 0.82 PDE4D (0.54) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL2888147 0.82 PDE4D (0.54) PDE4DPDE4BPDE4APDE4CMAPT

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
US-7776893-B2 Use of PDE4 inhibitors for the treatment of diabetes mellitus NYCOMED GMBH (DE) 2010-08-17 US disclosed
EP-0706513-B1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEM FAB (DE) 2002-05-15 EP disclosed
US-5712298-A Fluoroalkoxy-substituted benzamides and their use as cyclic nucleotide phosphodiesterase inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-01-27 US disclosed
EP-0706513-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-04-17 EP disclosed
WO-1995001338-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-01-12 WO disclosed