SCHEMBL7703632

SCHEMBL7703632

O=C1CC(c2ccc(OC3CCCC3)c3oc4ccccc4c23)CN1Cc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.59
PDE4A P27815 8/20 0.49
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
PDE4B Q07343 5/20 0.45
PDE4C Q08493 5/20 0.45
PDE4D Q08499 5/20 0.45
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
GRM2 Q14416 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL8272028 0.88 PDE10A (0.75) PDE10APDE4ACYP19A1CYP11B1CYP11B2
SCHEMBL7709375 0.84 PDE10A (0.58) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL7709951 0.83 PDE10A (0.56) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL7705002 0.83 PDE10A (0.56) PDE10ACYP19A1CYP11B1CYP11B2MAPT
SCHEMBL8271910 0.80 PDE10A (0.73) PDE10APDE4ACYP19A1CYP11B1CYP11B2
SCHEMBL7709755 0.80 PDE10A (0.73) PDE10APDE4ACYP19A1CYP11B1CYP11B2
SCHEMBL8271482 0.78 PDE10A (0.71) PDE10APDE4ACYP19A1CYP11B1CYP11B2
SCHEMBL2560664 0.78 PDE10A (0.70) PDE10APDE4ACYP19A1CYP11B1CYP11B2
SCHEMBL7711267 0.77 PDE10A (0.59) PDE10APDE4ACYP19A1CYP11B1CYP11B2
SCHEMBL2577947 0.77 PDE10A (0.79) PDE10APDE4ACYP19A1CYP11B1CYP11B2

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