SCHEMBL2561373

SCHEMBL2561373

CN1CC(c2ccc(OC(F)F)c3oc4ccncc4c23)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.47
PDE4B Q07343 4/20 0.47
PDE4D Q08499 3/20 0.47
PDE4C Q08493 2/20 0.47
PDE10A Q9Y233 3/20 0.43
BRD4 O60885 8/20 0.35
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ADRA1A P35348 1/20 0.31

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
SCHEMBL2560575 0.89 PDE4B (0.46) PDE4APDE4BPDE4DPDE4CPDE10A
SCHEMBL2560888 0.88 PDE10A (0.48) PDE4APDE4BPDE4DPDE4CPDE10A
SCHEMBL2563217 0.88 PDE10A (0.49) PDE4APDE4BPDE4DPDE4CPDE10A
SCHEMBL2577646 0.88 PDE10A (0.47) PDE4APDE4BPDE4DPDE4CPDE10A
SCHEMBL2556896 0.88 PDE10A (0.49) PDE4APDE4BPDE4DPDE4CPDE10A
SCHEMBL2558454 0.87 PDE4B (0.49) PDE4APDE4BPDE4DPDE4CPDE10A
SCHEMBL2560140 0.87 PDE10A (0.47) PDE4APDE4BPDE4DPDE4CPDE10A
SCHEMBL2563041 0.86 PDE10A (0.47) PDE4APDE4BPDE4DPDE4CPDE10A
SCHEMBL2576250 0.85 PDE10A (0.46) PDE4APDE4BPDE4DPDE4CPDE10A
SCHEMBL2557534 0.85 PDE10A (0.47) PDE4APDE4BPDE4DPDE4CPDE10A

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