SCHEMBL1729592

SCHEMBL1729592

CNC(CN(CC=O)C(=O)O)C1CCN(c2ccc3cccc(Cl)c3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.42
PDE10A Q9Y233 3/20 0.39
FAAH O00519 1/20 0.34
SMO Q99835 1/20 0.34
MAP4K4 O95819 1/20 0.33
PDE2A O00408 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
USP9X Q93008 1/20 0.32
HSD11B1 P28845 1/20 0.31
CXCR3 P49682 1/20 0.31

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
SCHEMBL1727892 0.88 HTR1A (0.39) SMO
SCHEMBL1728232 0.86 PTGES (0.41) PTGESPDE10AFAAHSMOMAP4K4
SCHEMBL1728165 0.85 KDM4E (0.45) PDE10APDE2A
SCHEMBL1727724 0.84 HSD11B1 (0.40) HSD11B1
SCHEMBL1729370 0.84 HRH3 (0.43) PTGESPDE10ASMOPDE2AHSD11B1
SCHEMBL1728682 0.83 ACACB (0.40) PDE10A
SCHEMBL1729308 0.82 HRH3 (0.44) PDE10AFAAHPDE2A
SCHEMBL1727875 0.82 ACACB (0.40) HSD11B1
SCHEMBL1728808 0.81 PKM (0.37) PDE10A
SCHEMBL1727648 0.81 MAPT (0.34) PDE10APDE2A

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-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed