SCHEMBL2559622

SCHEMBL2559622

COc1ccc(C2CC(=O)N(CCC(C)C)C2)c2c1oc1cnccc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.54
PDE4D Q08499 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP17A1 P05093 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 2/20 0.32

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 0.90 PDE10A (0.55) PDE10APDE4DPDE4APDE4BPDE4C
SCHEMBL2575117 0.89 PDE10A (0.52) PDE10APDE4DPDE4APDE4BPDE4C
SCHEMBL2556902 0.89 PDE10A (0.54) PDE10APDE4DPDE4APDE4BPDE4C
SCHEMBL2554081 0.88 PDE10A (0.53) PDE10APDE4DPDE4APDE4BPDE4C
SCHEMBL2563205 0.88 PDE10A (0.53) PDE10APDE4DPDE4APDE4BPDE4C
SCHEMBL2559772 0.88 PDE10A (0.53) PDE10APDE4DPDE4APDE4BPDE4C
SCHEMBL2559770 0.83 PDE10A (0.63) PDE10APDE4DPDE4APDE4BPDE4C
SCHEMBL2577646 0.83 PDE10A (0.47) PDE10APDE4DPDE4APDE4BPDE4C
SCHEMBL2561577 0.81 PDE10A (0.69) PDE10APDE4DPDE4APDE4BPDE4C
SCHEMBL7711738 0.81 PDE10A (0.66) PDE10APDE4DPDE4APDE4BPDE4C

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 claimed