SCHEMBL4015037

SCHEMBL4015037

CC(C)(C)OC(=O)N1CCC(c2cccnc2Oc2cccc(C(F)(F)F)c2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.51
HTR1A P08908 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
P2RX7 Q99572 2/20 0.47
GPR119 Q8TDV5 3/20 0.46
POLB P06746 1/20 0.45
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42

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
SCHEMBL4010245 0.91 HTR1A (0.61) PDE10AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4008350 0.89 HTR1A (0.60) PDE10AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4006236 0.89 HTR1A (0.53) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4009125 0.83 PDE10A (0.56) PDE10AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL13769760 0.83 HTR1A (0.60) PDE10AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL13770041 0.83 HTR1A (0.58) PDE10AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL13769764 0.82 PDE10A (0.51) PDE10AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL13769755 0.82 PDE10A (0.59) PDE10AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL13769613 0.82 PDE10A (0.59) PDE10AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL13769767 0.81 PDE10A (0.58) PDE10AGPR119

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