SCHEMBL4013686

SCHEMBL4013686

CC(C)(C)OC(=O)N1CC=C(c2cccnc2Oc2cccc(F)c2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 10/20 0.58
GRM5 P41594 10/20 0.58
PDE10A Q9Y233 1/20 0.56
PDK4 Q16654 1/20 0.53
CDK9 P50750 3/20 0.45
CCNT1 O60563 1/20 0.45
SCN9A Q15858 1/20 0.43
HTR6 P50406 1/20 0.43

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 0.91 GRM1 (0.58) GRM1GRM5PDE10APDK4CDK9
SCHEMBL4305255 0.89 GRM1 (0.53) GRM1GRM5PDE10APDK4CDK9
SCHEMBL4013818 0.88 PDE10A (0.55) GRM1GRM5PDE10APDK4CDK9
SCHEMBL13769766 0.88 PDE10A (0.55) GRM1GRM5PDE10APDK4CDK9
SCHEMBL4014744 0.87 GRM1 (0.56) GRM1GRM5PDE10APDK4CDK9
SCHEMBL13769472 0.86 GRM1 (0.54) GRM1GRM5PDE10APDK4CDK9
SCHEMBL4011635 0.86 PDE10A (0.55) GRM1GRM5PDE10APDK4CDK9
SCHEMBL4013425 0.86 PDE10A (0.62) GRM1GRM5PDE10APDK4HTR6
SCHEMBL13770040 0.86 PDE10A (0.60) GRM1GRM5PDE10APDK4HTR6
SCHEMBL4014879 0.85 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 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