SCHEMBL4740069

SCHEMBL4740069

O=C(O)N1CCC[C@H]1c1nc(C2CCCC2)no1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.49
DPP8 Q6V1X1 4/20 0.49
DPP9 Q86TI2 4/20 0.49
DPP7 Q9UHL4 4/20 0.49
PREP P48147 3/20 0.49
CPT1A P50416 4/20 0.49
CPT2 P23786 3/20 0.48
HSD11B1 P28845 1/20 0.43
GRM5 P41594 5/20 0.42

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
SCHEMBL4784332 0.96 CPT1A (0.51) DPP4DPP8DPP9DPP7PREP
SCHEMBL5569872 0.88 DPP4 (0.45) DPP4DPP8DPP9DPP7PREP
SCHEMBL5569869 0.88 DPP4 (0.45) DPP4DPP8DPP9DPP7PREP
SCHEMBL21163954 0.85 GRM5 (0.56) GRM5
SCHEMBL21163180 0.85 GRM5 (0.56) GRM5
SCHEMBL21163181 0.81 ALDH1A1 (0.50) DPP4DPP8DPP9DPP7PREP
SCHEMBL5569867 0.78 DPP4 (0.51) DPP4DPP8DPP9DPP7GRM5
SCHEMBL4786986 0.77 DPP4 (0.53) DPP4DPP8DPP9DPP7GRM5
SCHEMBL4784724 0.75 CPT1A (0.45) DPP4DPP8DPP9DPP7PREP
SCHEMBL4786936 0.75 FABP4 (0.40) DPP4DPP8DPP9DPP7PREP

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-2008093960-A1 NOVEL DIPEPTIDYL PEPTIDASE-IV INHIBITORS LG LIFE SCIENCES, LTD. (KR) 2008-08-07 WO disclosed