SCHEMBL2557293

SCHEMBL2557293

CCCCCCN1CC(c2ccc(OCC3CC3)c3oc4cnccc4c23)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.43
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
POLB P06746 3/20 0.34
TP53 P04637 2/20 0.34
GRM2 Q14416 4/20 0.32
HTR4 Q13639 2/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GRM7 Q14831 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL2557912 0.92 PDE10A (0.46) PDE10ACYP19A1CYP11B1CYP11B2POLB
SCHEMBL2563205 0.89 PDE10A (0.53) PDE10ACYP19A1CYP11B1CYP11B2POLB
SCHEMBL2559772 0.89 PDE10A (0.53) PDE10ACYP19A1CYP11B1CYP11B2POLB
SCHEMBL2556902 0.88 PDE10A (0.54) PDE10ACYP19A1CYP11B1CYP11B2POLB
SCHEMBL2560840 0.86 PDE10A (0.46) PDE10APOLBTP53MAPTNPSR1
SCHEMBL7707934 0.83 PDE10A (0.40) PDE10APOLBTP53MAPTNPSR1
SCHEMBL2576250 0.80 PDE10A (0.46) PDE10ACYP19A1CYP11B1CYP11B2POLB
SCHEMBL2575117 0.79 PDE10A (0.52) PDE10ACYP19A1CYP11B1CYP11B2
SCHEMBL2575124 0.78 PDE10A (0.55) PDE10ACYP19A1CYP11B1CYP11B2
SCHEMBL2557084 0.78 CYP19A1 (0.42) PDE10ACYP19A1CYP11B1CYP11B2GRM7

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