SCHEMBL4013425

SCHEMBL4013425

COc1ccccc1Oc1ncccc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.62
GRM5 P41594 9/20 0.56
GRM1 Q13255 9/20 0.56
PDK4 Q16654 1/20 0.56
HTR6 P50406 1/20 0.47
BTK Q06187 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL4016330 0.90 PDE10A (0.59) PDE10AGRM5GRM1PDK4HTR6
SCHEMBL13770040 0.90 PDE10A (0.60) PDE10AGRM5GRM1PDK4HTR6
SCHEMBL17001926 0.90 PDK4 (0.59) PDE10AGRM5GRM1PDK4HTR6
SCHEMBL31040352 0.90 PDK4 (0.59) PDE10AGRM5GRM1PDK4HTR6
SCHEMBL4014879 0.90 PDE10A (0.58) PDE10AGRM5GRM1PDK4HTR6
SCHEMBL4009123 0.88 PDE10A (0.53) PDE10AGRM5GRM1PDK4HTR6
SCHEMBL4305255 0.88 GRM1 (0.53) PDE10AGRM5GRM1PDK4
SCHEMBL13769826 0.88 PDE10A (0.69) PDE10AGRM5GRM1PDK4HTR6
SCHEMBL4008377 0.88 PDE10A (0.58) PDE10AGRM5GRM1PDK4HTR6
SCHEMBL13769848 0.88 PDE10A (0.60) PDE10AGRM5GRM1PDK4HTR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009081259-A1 PHENOXY-PYRIDYL DERIVATIVES PFIZER INC. (US) 2009-07-02 WO disclosed
WO-2009081259-A1 PHENOXY-PYRIDYL DERIVATIVES PFIZER INC. (US) 2009-07-02 WO disclosed