SCHEMBL4305255

SCHEMBL4305255

COc1cccc(F)c1Oc1ncccc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 10/20 0.53
GRM5 P41594 10/20 0.53
PDE10A Q9Y233 1/20 0.53
PDK4 Q16654 1/20 0.50
CDK9 P50750 3/20 0.43
CCNT1 O60563 2/20 0.43
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SCN9A Q15858 1/20 0.41

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
SCHEMBL4003764 0.93 GRM1 (0.58) GRM1GRM5PDE10APDK4CDK9
SCHEMBL4009123 0.90 PDE10A (0.53) GRM1GRM5PDE10APDK4SCN9A
SCHEMBL4014744 0.90 GRM1 (0.56) GRM1GRM5PDE10APDK4CDK9
SCHEMBL4013686 0.89 GRM1 (0.58) GRM1GRM5PDE10APDK4CDK9
SCHEMBL13769472 0.89 GRM1 (0.54) GRM1GRM5PDE10APDK4CDK9
SCHEMBL4009648 0.88 CCNT1 (0.46) PDE10ACDK9CCNT1HTR1ASLC6A2
SCHEMBL4013425 0.88 PDE10A (0.62) GRM1GRM5PDE10APDK4
SCHEMBL4013818 0.85 PDE10A (0.55) GRM1GRM5PDE10APDK4CDK9
SCHEMBL13769766 0.85 PDE10A (0.55) GRM1GRM5PDE10APDK4CDK9
SCHEMBL17001926 0.84 PDK4 (0.59) GRM1GRM5PDE10APDK4SCN9A

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