SCHEMBL19789767

SCHEMBL19789767

COc1cn(C2CCCN(c3ncccc3Cl)CC2)nc(-c2ccnn2-c2ccccc2)c1=O

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 19/20 0.68
MALT1 Q9UDY8 1/20 0.40

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
SCHEMBL14722898 0.97 PDE10A (0.72) PDE10AMALT1
SCHEMBL14729577 0.87 PDE10A (0.72) PDE10A
SCHEMBL14973704 0.85 PDE10A (0.69) PDE10A
SCHEMBL10040159 0.84 PDE10A (0.92) PDE10A
SCHEMBL10040195 0.84 PDE10A (0.92) PDE10A
SCHEMBL10040203 0.83 PDE10A (0.90) PDE10A
SCHEMBL14974099 0.82 PDE10A (1.00) PDE10A
SCHEMBL14723218 0.80 PDE10A (0.77) PDE10A
SCHEMBL10040294 0.80 PDE10A (0.73) PDE10A
SCHEMBL14723414 0.78 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
EP-2748158-B1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICALS CO (JP) 2018-01-24 EP disclosed