SCHEMBL2575124

SCHEMBL2575124

COCCN1CC(c2ccc(OC)c3oc4cnccc4c23)CC1=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.55
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL2554081 0.92 PDE10A (0.53) PDE10ACYP3A4TDP1CYP17A1CYP19A1
SCHEMBL2559622 0.90 PDE10A (0.54) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL2556902 0.89 PDE10A (0.54) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL2559772 0.89 PDE10A (0.53) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL2563205 0.89 PDE10A (0.53) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL2575117 0.88 PDE10A (0.52) PDE10ACYP3A4TDP1CYP17A1CYP19A1
SCHEMBL2556896 0.84 PDE10A (0.49) PDE10ACYP3A4TDP1CYP17A1CYP19A1
SCHEMBL2559770 0.84 PDE10A (0.63) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL2561577 0.81 PDE10A (0.69) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL7711738 0.81 PDE10A (0.66) 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 claimed