SCHEMBL7706977

SCHEMBL7706977

O=C1CC(c2ccc(OC(F)F)c3oc4cnccc4c23)CN1Cc1ccc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.48
HCRTR1 O43613 9/20 0.34
HCRTR2 O43614 9/20 0.34
PDE4B Q07343 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
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
SCHEMBL7706978 0.94 PDE10A (0.48) PDE10AHCRTR1HCRTR2PDE4BPDE4A
SCHEMBL7709735 0.92 PDE10A (0.52) PDE10AHCRTR1HCRTR2PDE4BALDH1A1
SCHEMBL2557257 0.85 PDE10A (0.47) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL2560597 0.82 PDE10A (0.52) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL2557003 0.81 PDE10A (0.52) PDE10AHCRTR1HCRTR2PDE4BPDE4A
SCHEMBL2557880 0.81 PDE10A (0.40) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL2563284 0.80 PDE10A (0.56) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL2563454 0.80 PDE10A (0.51) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL2561150 0.79 PDE10A (0.47) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL2560840 0.79 PDE10A (0.46) 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