SCHEMBL4013702

SCHEMBL4013702

O=C(O)N1CCC(c2cccnc2Oc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 3/20 0.50
PDE10A Q9Y233 5/20 0.49
KCNH2 Q12809 2/20 0.49
HTR1A P08908 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
MAPK7 Q13164 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
SCHEMBL4167133 0.87 HTR1A (0.62) PDE10AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4005739 0.87 PDE10A (0.63) P2RY1PDE10AKCNH2
SCHEMBL4013180 0.86 P2RY1 (0.49) P2RY1PDE10AKCNH2HTR1ASLC6A2
SCHEMBL4008514 0.85 PDE10A (0.53) PDE10AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3319543 0.81 PDE10A (0.52) PDE10A
SCHEMBL4007230 0.79 HTR1A (0.63) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL13362173 0.78 PDE10A (0.65) PDE10AHTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4005980 0.78 HTR1A (0.70) PDE10AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4008285 0.78 HTR1A (0.64) PDE10AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2527420 0.78 MEN1 (0.49)

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