SCHEMBL7703623

SCHEMBL7703623

COc1ccc(C2CC(=O)N(Cc3ccc(-c4ccccc4)cc3F)C2)c2c1oc1ccccc12

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.84
PDE4A P27815 3/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HCRTR1 O43613 6/20 0.37
HCRTR2 O43614 6/20 0.37
EDNRB P24530 4/20 0.37
NAAA Q02083 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL7709660 0.92 PDE10A (1.00) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL7710215 0.92 PDE10A (0.86) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL7708488 0.89 PDE10A (0.78) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL7711236 0.89 PDE10A (0.87) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL7711523 0.86 PDE10A (0.89) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL2556547 0.86 PDE10A (0.89) PDE10AHCRTR1HCRTR2
SCHEMBL2560629 0.83 PDE10A (0.84) PDE10APDE4BCYP17A1CYP19A1CYP11B1
SCHEMBL2574610 0.82 PDE10A (0.64) PDE10APDE4BPDE4DCYP17A1CYP19A1
SCHEMBL7708474 0.82 PDE10A (0.67) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2557873 0.82 PDE10A (0.69) 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 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