SCHEMBL4010245

SCHEMBL4010245

CC(C)(C)OC(=O)N1CCC(c2cccnc2Oc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.61
SLC6A2 P23975 2/20 0.61
SLC6A4 P31645 2/20 0.61
SLC6A3 Q01959 1/20 0.61
PDE10A Q9Y233 1/20 0.56
GPR119 Q8TDV5 2/20 0.49
RBP4 P02753 7/20 0.47
ALDH1A1 P00352 1/20 0.44
LMNA P02545 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
SCHEMBL4015037 0.91 PDE10A (0.51) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL4009125 0.88 PDE10A (0.56) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL13770041 0.88 HTR1A (0.58) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL13769755 0.87 PDE10A (0.59) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL13769613 0.87 PDE10A (0.59) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL4015464 0.85 PDE10A (0.57) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL4009229 0.85 PDE10A (0.68) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL13769767 0.84 PDE10A (0.58) PDE10AGPR119
SCHEMBL13769760 0.84 HTR1A (0.60) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL13769478 0.83 HTR1A (0.60) HTR1ASLC6A2SLC6A4SLC6A3PDE10A

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