SCHEMBL4786936

SCHEMBL4786936

O=C(O)N1C[C@H](O)C[C@H]1c1nc(C2CC2)no1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.40
FABP5 Q01469 2/20 0.40
DPP4 P27487 3/20 0.40
DPP8 Q6V1X1 3/20 0.40
DPP9 Q86TI2 3/20 0.40
DPP7 Q9UHL4 3/20 0.40
PREP P48147 2/20 0.40
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
CPT1A P50416 2/20 0.35
SPHK2 Q9NRA0 2/20 0.35
HSD11B1 P28845 1/20 0.34
CPT2 P23786 1/20 0.34
CNR1 P21554 1/20 0.34
F2R P25116 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SCD O00767 1/20 0.34

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
SCHEMBL4805862 0.85 DPP4 (0.41) DPP4DPP8DPP9DPP7PREP
SCHEMBL4786827 0.82 CPT1A (0.43) DPP4DPP8DPP9DPP7PREP
SCHEMBL4740069 0.75 DPP4 (0.49) DPP4DPP8DPP9DPP7PREP
SCHEMBL4784332 0.74 CPT1A (0.51) DPP4DPP8DPP9DPP7PREP
SCHEMBL2023091 0.71 TUBB4A (0.42) HCRTR1HCRTR2CPT1AHSD11B1CPT2
SCHEMBL12506047 0.70 HCRTR1 (0.38) DPP4DPP8DPP9DPP7PREP
SCHEMBL3696393 0.70 CNR1 (0.39) HCRTR1HCRTR2HSD11B1CNR1
SCHEMBL5569872 0.69 DPP4 (0.45) DPP4DPP8DPP9DPP7PREP
SCHEMBL5569869 0.69 DPP4 (0.45) DPP4DPP8DPP9DPP7PREP
SCHEMBL4784724 0.68 CPT1A (0.45) 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