SCHEMBL2571325

SCHEMBL2571325

O=C(CCN1CC(c2ccc(OC(F)F)c3oc4ccncc4c23)CC1=O)N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE10A Q9Y233 3/20 0.42
ALDH1A1 P00352 1/20 0.33
NAMPT P43490 1/20 0.30
GRIN1 Q05586 2/20 0.30
GRIN2B Q13224 2/20 0.30
PROKR1 Q8TCW9 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
SCHEMBL7709576 0.89 PDE4B (0.46) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL2562987 0.86 PDE10A (0.44) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL2560888 0.85 PDE10A (0.48) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL2577646 0.84 PDE10A (0.47) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL2556896 0.84 PDE10A (0.49) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL2560140 0.84 PDE10A (0.47) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL2563217 0.83 PDE10A (0.49) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL2556888 0.83 PDE10A (0.48) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL2576250 0.82 PDE10A (0.46) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL2557534 0.82 PDE10A (0.47) PDE4APDE4BPDE4CPDE4DPDE10A

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 claimed