SCHEMBL4327908

SCHEMBL4327908

CC(C)C(=O)OC(=O)N1CCNCC1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
PLD1 Q13393 1/20 0.35
HTR2C P28335 1/20 0.32
DPP7 Q9UHL4 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
ENPP2 Q13822 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
TSHR P16473 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
SCHEMBL19785906 0.84 DPP4 (0.38) DPP4PLD1HTR2CDPP7PSEN1
SCHEMBL15258053 0.84 DPP4 (0.38) DPP4PLD1HTR2CDPP7PSEN1
Hydrochloric Acid SCHEMBL15254308 0.83 DPP4 (0.38) DPP4PLD1HTR2CPSEN1PSEN2
Hydrochloric Acid SCHEMBL29613587 0.83 DPP4 (0.38) DPP4PLD1HTR2CPSEN1PSEN2
SCHEMBL324738 0.80 RAB9A (0.48) DPP4PLD1HTR2CDPP7PSEN1
SCHEMBL13758227 0.79 DPP4 (0.35) DPP4PLD1HTR2CPSEN1PSEN2
SCHEMBL31735994 0.79 DPP4 (0.41) DPP4PLD1DPP7ENPP2
SCHEMBL954848 0.79 DPP4 (0.39) DPP4HTR2CENPP2TSHR
SCHEMBL953150 0.79 DPP4 (0.39) DPP4HTR2CENPP2TSHR
SCHEMBL8206794 0.79 DPP4 (0.39) DPP4HTR2CENPP2TSHR

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
US-7569690-B2 Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2009-08-04 US disclosed