SCHEMBL7706978

SCHEMBL7706978

O=C1CC(c2ccc(OC(F)F)c3oc4ccncc4c23)CN1Cc1ccc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.48
PDE4B Q07343 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
HCRTR1 O43613 8/20 0.34
HCRTR2 O43614 8/20 0.34
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL7706977 0.94 PDE10A (0.48) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL7709735 0.92 PDE10A (0.52) PDE10APDE4BHCRTR1HCRTR2CYP17A1
SCHEMBL2557003 0.87 PDE10A (0.52) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL2563284 0.87 PDE10A (0.56) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL2561150 0.85 PDE10A (0.47) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL2563116 0.85 PDE10A (0.59) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL2557009 0.84 PDE10A (0.55) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL2563663 0.84 PDE10A (0.53) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL2561569 0.84 PDE10A (0.59) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL2561826 0.84 PDE10A (0.51) 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 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