SCHEMBL2556983

SCHEMBL2556983

O=C1CC(c2ccc(OC(F)F)c3oc4ccncc4c23)CN1Cc1ccc(-c2cncnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.54
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
GRM2 Q14416 3/20 0.37
GRM5 P41594 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL2561569 0.93 PDE10A (0.59) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL7703764 0.92 PDE10A (0.63) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2553598 0.91 PDE10A (0.53) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2559749 0.91 PDE10A (0.53) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2561094 0.90 PDE10A (0.54) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2563284 0.90 PDE10A (0.56) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2559769 0.88 PDE10A (0.53) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2563218 0.88 PDE10A (0.51) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2563974 0.88 PDE10A (0.51) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2558391 0.88 PDE10A (0.52) PDE10APDE4APDE4BPDE4CPDE4D

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