SCHEMBL4007130

SCHEMBL4007130

Cc1ccc(Oc2ncccc2C2=CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.55
PDK4 Q16654 1/20 0.50
GRM1 Q13255 8/20 0.49
GRM5 P41594 8/20 0.49
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 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
SCHEMBL4011353 0.93 PDE10A (0.55) PDE10APDK4GRM1GRM5CNR1
SCHEMBL4011635 0.89 PDE10A (0.55) PDE10APDK4GRM1GRM5GABRP
SCHEMBL4014482 0.88 PDE10A (0.44) PDE10A
SCHEMBL4007125 0.86 PDE10A (0.56) PDE10APDK4GRM1GRM5CNR1
SCHEMBL4013818 0.84 PDE10A (0.55) PDE10APDK4GRM1GRM5GPR119
SCHEMBL4009123 0.83 PDE10A (0.53) PDE10APDK4GRM1GRM5CNR1
SCHEMBL13770040 0.83 PDE10A (0.60) PDE10APDK4GRM1GRM5HTR6
SCHEMBL4013425 0.83 PDE10A (0.62) PDE10APDK4GRM1GRM5HTR6
SCHEMBL13769826 0.83 PDE10A (0.69) PDE10APDK4GRM1GRM5TNK2
SCHEMBL31040352 0.82 PDK4 (0.59) 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