SCHEMBL7709576

SCHEMBL7709576

O=C(O)CCN1CC(c2ccc(OC(F)F)c3oc4ccncc4c23)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.46
PDE4D Q08499 2/20 0.46
PDE4A P27815 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE10A Q9Y233 3/20 0.44
KDM4C Q9H3R0 2/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2562987 0.90 PDE10A (0.44) PDE4BPDE4DPDE4APDE4CPDE10A
SCHEMBL2571325 0.89 PDE4A (0.43) PDE4BPDE4DPDE4APDE4CPDE10A
SCHEMBL2560888 0.89 PDE10A (0.48) PDE4BPDE4DPDE4APDE4CPDE10A
SCHEMBL2556888 0.89 PDE10A (0.48) PDE4BPDE4DPDE4APDE4CPDE10A
SCHEMBL2577646 0.88 PDE10A (0.47) PDE4BPDE4DPDE4APDE4CPDE10A
SCHEMBL2556896 0.88 PDE10A (0.49) PDE4BPDE4DPDE4APDE4CPDE10A
SCHEMBL2560140 0.88 PDE10A (0.47) PDE4BPDE4DPDE4APDE4CPDE10A
SCHEMBL2563217 0.87 PDE10A (0.49) PDE4BPDE4DPDE4APDE4CPDE10A
SCHEMBL2562898 0.86 PDE10A (0.46) PDE4BPDE4DPDE4APDE4CPDE10A
SCHEMBL2576250 0.86 PDE10A (0.46) PDE4BPDE4DPDE4APDE4CPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011132051-A2 TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-10-27 WO disclosed