SCHEMBL4011353

SCHEMBL4011353

CC(C)(C)OC(=O)N1CC=C(c2cccnc2Oc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.55
PDK4 Q16654 1/20 0.50
CNR1 P21554 2/20 0.49
GRM1 Q13255 7/20 0.47
GRM5 P41594 7/20 0.47
GPR119 Q8TDV5 1/20 0.45
DGAT2 Q96PD7 1/20 0.43
SCN9A Q15858 1/20 0.43
HTR6 P50406 1/20 0.43
POLB P06746 1/20 0.42
JAK1 P23458 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
SCHEMBL4007130 0.93 PDE10A (0.55) PDE10APDK4CNR1GRM1GRM5
SCHEMBL4555950 0.88 PDE10A (0.44) PDE10A
SCHEMBL4007125 0.86 PDE10A (0.56) PDE10APDK4CNR1GRM1GRM5
SCHEMBL4011635 0.84 PDE10A (0.55) PDE10APDK4GRM1GRM5GPR119
SCHEMBL13769766 0.84 PDE10A (0.55) PDE10APDK4CNR1GRM1GRM5
SCHEMBL4013818 0.84 PDE10A (0.55) PDE10APDK4GRM1GRM5GPR119
SCHEMBL4009123 0.83 PDE10A (0.53) PDE10APDK4CNR1GRM1GRM5
SCHEMBL4013425 0.83 PDE10A (0.62) PDE10APDK4GRM1GRM5HTR6
SCHEMBL13770040 0.83 PDE10A (0.60) PDE10APDK4GRM1GRM5HTR6
SCHEMBL13769826 0.83 PDE10A (0.69) PDE10APDK4GRM1GRM5HTR6

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