SCHEMBL7368887

SCHEMBL7368887

O=C(Nc1c(Cl)cncc1Cl)c1ccc(OCc2ccccc2)c(OC(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.64
PDE4D Q08499 18/20 0.64
PDE4A P27815 4/20 0.64
PDE4C Q08493 4/20 0.64
ABCB11 O95342 1/20 0.64
CYP2B6 P20813 1/20 0.50

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
SCHEMBL29682915 0.96 PDE4B (0.69) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL23499796 0.96 PDE4B (0.69) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL8890462 0.86 PDE4B (0.71) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL30084849 0.86 PDE4D (0.74) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL2889923 0.86 PDE4D (0.74) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL8889614 0.85 PDE4D (0.73) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL14705239 0.84 PDE4B (0.65) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL2887354 0.84 PDE4D (0.68) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL30084843 0.84 PDE4D (0.68) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL30084827 0.83 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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