SCHEMBL4016330

SCHEMBL4016330

CCOc1ccccc1Oc1ncccc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.59
PDK4 Q16654 1/20 0.54
GRM5 P41594 9/20 0.51
GRM1 Q13255 9/20 0.51
HTR6 P50406 1/20 0.46
BTK Q06187 1/20 0.45
NAMPT P43490 1/20 0.44

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
SCHEMBL4013425 0.90 PDE10A (0.62) PDE10APDK4GRM5GRM1HTR6
SCHEMBL13770040 0.89 PDE10A (0.60) PDE10APDK4GRM5GRM1HTR6
SCHEMBL4014879 0.88 PDE10A (0.58) PDE10APDK4GRM5GRM1HTR6
SCHEMBL4010834 0.87 PDE10A (0.47) PDE10A
SCHEMBL13769826 0.86 PDE10A (0.69) PDE10APDK4GRM5GRM1HTR6
SCHEMBL13769848 0.86 PDE10A (0.60) PDE10APDK4GRM5GRM1HTR6
SCHEMBL4008377 0.86 PDE10A (0.58) PDE10APDK4GRM5GRM1HTR6
SCHEMBL4010939 0.85 PDE10A (0.53) PDE10APDK4GRM5GRM1
SCHEMBL3794398 0.84 GRM5 (0.57) PDE10APDK4GRM5GRM1NAMPT
SCHEMBL4007125 0.84 PDE10A (0.56) PDE10APDK4GRM5GRM1HTR6

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