SCHEMBL19789841

SCHEMBL19789841

COc1cn(-c2ccccccccc2)nc(-c2ccnn2-c2ccccc2)c1=O

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 19/20 0.78
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL519517 0.95 PDE10A (0.72) PDE10AALDH1A1
SCHEMBL14729638 0.94 PDE10A (0.70) PDE10AALDH1A1
SCHEMBL10039435 0.93 PDE10A (0.69) PDE10AALDH1A1
SCHEMBL14729554 0.92 PDE10A (0.68) PDE10AALDH1A1
SCHEMBL18973465 0.91 PDE10A (0.67) PDE10AALDH1A1
SCHEMBL15004764 0.91 PDE10A (0.69) PDE10AALDH1A1
SCHEMBL519787 0.91 PDE10A (0.69) PDE10AALDH1A1
SCHEMBL8369707 0.90 PDE10A (0.68) PDE10AALDH1A1
SCHEMBL10039671 0.89 PDE10A (0.67) PDE10AALDH1A1
SCHEMBL15004678 0.89 PDE10A (0.69) PDE10AALDH1A1

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