SCHEMBL16639162

SCHEMBL16639162

Cc1ncc(CC(C)C)nc1-c1cc2nc(N3CCCC3)cc(N(C)C3CCCCCC3)n2n1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 19/20 0.69
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL14211897 0.93 PDE10A (0.81) PDE10AKDM4EUSP2LMNAMAPT
SCHEMBL2438043 0.82 PDE10A (1.00) PDE10AKDM4EUSP2LMNAMAPT
SCHEMBL14211874 0.80 PDE10A (0.80) PDE10AKDM4EUSP2LMNAMAPT
SCHEMBL14211888 0.77 PDE10A (0.62) PDE10A
SCHEMBL6900520 0.75 PDE10A (0.88) PDE10AKDM4EUSP2LMNAMAPT
SCHEMBL2439865 0.75 PDE10A (0.72) PDE10ATSHR
SCHEMBL6901208 0.75 PDE10A (0.76) PDE10AKDM4EUSP2LMNAMAPT
SCHEMBL6898062 0.72 PDE10A (0.68) PDE10AKDM4ELMNAMAPTTSHR
SCHEMBL2408367 0.71 PDE10A (0.81) PDE10A
Hydrochloric Acid SCHEMBL2407259 0.71 PDE10A (0.81) 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-2539342-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2015-04-15 EP disclosed