SCHEMBL13769766

SCHEMBL13769766

CC(C)(C)OC(=O)N1CC=C(c2cccnc2Oc2cc(F)ccc2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.55
GRM1 Q13255 9/20 0.54
GRM5 P41594 9/20 0.54
CDK9 P50750 4/20 0.50
CCNT1 O60563 1/20 0.50
PDK4 Q16654 1/20 0.50
CNR1 P21554 1/20 0.44
BTK Q06187 1/20 0.44

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) PDE10AGRM1GRM5CDK9CCNT1
SCHEMBL4010939 0.89 PDE10A (0.53) PDE10AGRM1GRM5CDK9CCNT1
SCHEMBL4013686 0.88 GRM1 (0.58) PDE10AGRM1GRM5CDK9CCNT1
SCHEMBL4011858 0.88 PDE10A (0.44) PDE10ACDK9CCNT1
SCHEMBL4011635 0.87 PDE10A (0.55) PDE10AGRM1GRM5CDK9CCNT1
SCHEMBL4003764 0.86 GRM1 (0.58) PDE10AGRM1GRM5CDK9CCNT1
SCHEMBL4305255 0.85 GRM1 (0.53) PDE10AGRM1GRM5CDK9CCNT1
SCHEMBL4013425 0.85 PDE10A (0.62) PDE10AGRM1GRM5PDK4BTK
SCHEMBL13770040 0.85 PDE10A (0.60) PDE10AGRM1GRM5PDK4BTK
SCHEMBL4008377 0.84 PDE10A (0.58) PDE10AGRM1GRM5PDK4BTK

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