SCHEMBL4015464

SCHEMBL4015464

CCOc1ccccc1Oc1ncccc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.57
GPR119 Q8TDV5 5/20 0.50
HTR1A P08908 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
GAA P10253 2/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
PTK2 Q05397 1/20 0.44
POLB P06746 1/20 0.43
SSTR4 P31391 1/20 0.43
CHRM4 P08173 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL13769755 0.90 PDE10A (0.59) PDE10AGPR119HTR1ASLC6A2SLC6A4
SCHEMBL13769613 0.88 PDE10A (0.59) PDE10AGPR119HTR1ASLC6A2SLC6A4
SCHEMBL4009125 0.87 PDE10A (0.56) PDE10AGPR119HTR1ASLC6A2SLC6A4
SCHEMBL13770041 0.87 HTR1A (0.58) PDE10AGPR119HTR1ASLC6A2SLC6A4
SCHEMBL4007303 0.86 HTR1A (0.49) PDE10AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL12712674 0.86 CHRM4 (0.54) GPR119GAATHRBSMN1; SMN2CHRM4
SCHEMBL4009229 0.85 PDE10A (0.68) PDE10AGPR119HTR1ASLC6A2SLC6A4
SCHEMBL4010245 0.85 HTR1A (0.61) PDE10AGPR119HTR1ASLC6A2SLC6A4
SCHEMBL13769767 0.85 PDE10A (0.58) PDE10AGPR119JAK2JAK3PTK2
SCHEMBL4009199 0.84 PDE10A (0.51) PDE10AGPR119HTR1ASLC6A2SLC6A4

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