SCHEMBL2577947

SCHEMBL2577947

COc1ccc(C2CC(=O)N(Cc3ccc(-c4ccncc4)cc3)C2)c2c1oc1ccccc12

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.79
PDE4A P27815 7/20 0.45
PDE4B Q07343 5/20 0.45
PDE4C Q08493 5/20 0.45
PDE4D Q08499 5/20 0.45
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
GRM2 Q14416 1/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL7711525 0.92 PDE10A (0.78) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2578430 0.89 PDE10A (0.73) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL8272028 0.89 PDE10A (0.75) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL7709752 0.89 PDE10A (1.00) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL8271910 0.88 PDE10A (0.73) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL7709755 0.88 PDE10A (0.73) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2561577 0.87 PDE10A (0.69) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL8271482 0.86 PDE10A (0.71) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL7709339 0.86 PDE10A (0.73) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2560664 0.85 PDE10A (0.70) 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 disclosed
WO-2011132051-A2 TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-10-27 WO disclosed