SCHEMBL4011635

SCHEMBL4011635

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.55
GRM1 Q13255 10/20 0.55
GRM5 P41594 10/20 0.55
PDK4 Q16654 1/20 0.50
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
SCHEMBL4013818 0.93 PDE10A (0.55) PDE10AGRM1GRM5PDK4GPR119
SCHEMBL4007130 0.89 PDE10A (0.55) PDE10AGRM1GRM5PDK4GABRP
SCHEMBL4009241 0.88 PDE10A (0.44) PDE10AGRM1GRM5CCNT1CDK9
SCHEMBL13769766 0.87 PDE10A (0.55) PDE10AGRM1GRM5PDK4CCNT1
SCHEMBL4013686 0.86 GRM1 (0.58) PDE10AGRM1GRM5PDK4HTR6
SCHEMBL4003764 0.86 GRM1 (0.58) PDE10AGRM1GRM5PDK4HTR6
SCHEMBL4010939 0.85 PDE10A (0.53) PDE10AGRM1GRM5PDK4CCNT1
SCHEMBL4014744 0.85 GRM1 (0.56) PDE10AGRM1GRM5PDK4HTR6
SCHEMBL4011353 0.84 PDE10A (0.55) PDE10AGRM1GRM5PDK4GPR119
SCHEMBL4305255 0.83 GRM1 (0.53) PDE10AGRM1GRM5PDK4CCNT1

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