SCHEMBL4014744

SCHEMBL4014744

Cc1cccc(F)c1Oc1ncccc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 10/20 0.56
GRM5 P41594 10/20 0.56
PDE10A Q9Y233 1/20 0.54
PDK4 Q16654 1/20 0.52
SCN9A Q15858 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
TNK2 Q07912 1/20 0.42
HTR6 P50406 1/20 0.42
BTK Q06187 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
SCHEMBL4003764 0.94 GRM1 (0.58) GRM1GRM5PDE10APDK4SCN9A
SCHEMBL13769472 0.90 GRM1 (0.54) GRM1GRM5PDE10APDK4SCN9A
SCHEMBL4305255 0.90 GRM1 (0.53) GRM1GRM5PDE10APDK4SCN9A
SCHEMBL4010237 0.88 PDE10A (0.44) GRM1GRM5PDE10ACCNT1CDK9
SCHEMBL4013686 0.87 GRM1 (0.58) GRM1GRM5PDE10APDK4SCN9A
SCHEMBL4011635 0.85 PDE10A (0.55) GRM1GRM5PDE10APDK4CCNT1
SCHEMBL4013818 0.83 PDE10A (0.55) GRM1GRM5PDE10APDK4CCNT1
SCHEMBL13769766 0.83 PDE10A (0.55) GRM1GRM5PDE10APDK4CCNT1
SCHEMBL13769826 0.82 PDE10A (0.69) GRM1GRM5PDE10APDK4TNK2
SCHEMBL4014879 0.82 PDE10A (0.58) GRM1GRM5PDE10APDK4HTR6

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