SCHEMBL2556844

SCHEMBL2556844

COc1ccc(C2CC(=O)N(Cc3ccc(I)cc3F)C2)c2c1oc1cnccc12

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.70
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 4/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
BUB1 O43683 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 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
SCHEMBL2556819 0.91 PDE10A (0.58) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL2563062 0.91 PDE10A (0.70) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL7708488 0.89 PDE10A (0.78) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL2556547 0.88 PDE10A (0.89) PDE10A
SCHEMBL2559770 0.87 PDE10A (0.63) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL7709660 0.82 PDE10A (1.00) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL7711523 0.82 PDE10A (0.89) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL2585001 0.81 PDE10A (0.60) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL7710215 0.80 PDE10A (0.86) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL2575124 0.80 PDE10A (0.55) PDE10ACYP17A1CYP19A1CYP11B1CYP11B2

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 3 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
WO-2011132051-A2 TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-10-27 WO disclosed