SCHEMBL14729640

SCHEMBL14729640

COc1cn(-c2ccc(-n3cc(F)c(F)c3)cc2OCF)nc(-c2ccnn2-c2ccccc2)c1=O

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.67

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
SCHEMBL10039664 0.93 PDE10A (0.74) PDE10A
SCHEMBL14723261 0.92 PDE10A (0.65) PDE10A
SCHEMBL15004698 0.91 PDE10A (0.64) PDE10A
SCHEMBL10039658 0.91 PDE10A (0.64) PDE10A
SCHEMBL30123639 0.90 PDE10A (0.79) PDE10A
SCHEMBL519127 0.90 PDE10A (0.79) PDE10A
SCHEMBL15004704 0.88 PDE10A (0.67) PDE10A
SCHEMBL10039673 0.87 PDE10A (0.70) PDE10A
SCHEMBL525174 0.87 PDE10A (0.75) PDE10A
SCHEMBL13519490 0.86 PDE10A (0.73) PDE10A

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-2013027845-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed