SCHEMBL7710971

SCHEMBL7710971

O=C1CC(c2ccc(OC(F)F)c3oc4ccccc4c23)CN1Cc1ccc(-c2ccno2)cc1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.83
CYP19A1 P11511 6/20 0.35
CYP11B1 P15538 6/20 0.35
CYP11B2 P19099 6/20 0.35
CYP17A1 P05093 2/20 0.35
GRM5 P41594 1/20 0.34
PDE4B Q07343 4/20 0.34
PDE4A P27815 4/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
ACHE P22303 1/20 0.31

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
SCHEMBL7709752 0.91 PDE10A (1.00) PDE10ACYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL7713587 0.87 PDE10A (0.67) PDE10ACYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL7703764 0.87 PDE10A (0.63) PDE10ACYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL2576417 0.86 PDE10A (0.62) PDE10ACYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL2563219 0.85 PDE10A (0.63) PDE10AGRM5PDE4BPDE4APDE4C
SCHEMBL2572379 0.85 PDE10A (0.63) PDE10AGRM5PDE4BPDE4APDE4C
SCHEMBL7711267 0.84 PDE10A (0.59) PDE10ACYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL2561569 0.84 PDE10A (0.59) PDE10ACYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL2563284 0.82 PDE10A (0.56) PDE10ACYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL2561026 0.81 PDE10A (0.56) PDE10AGRM5PDE4BPDE4APDE4C

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