SCHEMBL4730739

SCHEMBL4730739

Cc1cnc(C)c(C)c1OCC1COC2(CCC2)OC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.31
APP P05067 1/20 0.31
PDE10A Q9Y233 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL714517 0.85 PDE10A (0.36) ADRA1DPDE10A
SCHEMBL3176688 0.81 AGXT (0.34) PDE10A
SCHEMBL711097 0.76
SCHEMBL13528703 0.76
SCHEMBL712047 0.73 APP (0.38) APPPDE10A
SCHEMBL712121 0.73 APP (0.38) APPPDE10A
SCHEMBL712978 0.72 BRS3 (0.49)
Water SCHEMBL713364 0.72 APP (0.37) APPPDE10A
SCHEMBL714888 0.71 WDR5 (0.38) PDE10A
SCHEMBL714282 0.71 WDR5 (0.38)

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-2008047849-A1 PROCESS FOR THE PRODUCTION OF 2- [ [4- T (2, 2-DIMETHYL-1, 3-DIOXAN-5-YL) METHOXY] PYRIDIN-2-YL] METHYLTHIO] -1H-BENZIMIDAZOLE EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-04-24 WO disclosed