SCHEMBL2563558

SCHEMBL2563558

O=C1CC(c2ccc(OC(F)F)c3oc4ccncc4c23)CN1Cc1cccc(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.55
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
P2RX7 Q99572 1/20 0.33
CYP19A1 P11511 3/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
CYP17A1 P05093 1/20 0.33

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
SCHEMBL2563116 0.94 PDE10A (0.59) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2562148 0.90 PDE10A (0.50) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2557009 0.89 PDE10A (0.55) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2563663 0.89 PDE10A (0.53) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2563691 0.88 PDE10A (0.55) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2553791 0.88 PDE10A (0.52) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2563284 0.87 PDE10A (0.56) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2565185 0.87 PDE10A (0.53) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2560037 0.87 PDE10A (0.58) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2576211 0.87 PDE10A (0.51) 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