SCHEMBL2554081

SCHEMBL2554081

CCOCCN1CC(c2ccc(OC)c3oc4cnccc4c23)CC1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.53
PDE4B Q07343 2/20 0.33
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
SSTR5 P35346 1/20 0.32
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CNR2 P34972 2/20 0.31
BRD4 O60885 3/20 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
SCHEMBL2575124 0.92 PDE10A (0.55) PDE10APDE4BCYP17A1CYP19A1CYP11B1
SCHEMBL2556902 0.89 PDE10A (0.54) PDE10APDE4BCYP17A1CYP19A1CYP11B1
SCHEMBL2559772 0.88 PDE10A (0.53) PDE10APDE4BCYP17A1CYP19A1CYP11B1
SCHEMBL2563205 0.88 PDE10A (0.53) PDE10APDE4BCYP17A1CYP19A1CYP11B1
SCHEMBL2559622 0.88 PDE10A (0.54) PDE10APDE4BCYP17A1CYP19A1CYP11B1
SCHEMBL2575117 0.85 PDE10A (0.52) PDE10APDE4BCYP17A1CYP19A1CYP11B1
SCHEMBL2557912 0.82 PDE10A (0.46) PDE10ACYP19A1CYP11B1CYP11B2SSTR5
SCHEMBL2559770 0.82 PDE10A (0.63) PDE10APDE4BCYP17A1CYP19A1CYP11B1
SCHEMBL2560840 0.80 PDE10A (0.46) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL2561577 0.79 PDE10A (0.69) PDE10APDE4BPDE4APDE4CPDE4D

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