SCHEMBL4786827

SCHEMBL4786827

CO[C@@H]1C[C@@H](c2nc(C3CC3)no2)N(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.43
CPT2 P23786 3/20 0.43
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
DPP4 P27487 3/20 0.38
PREP P48147 3/20 0.38
DPP8 Q6V1X1 3/20 0.38
DPP9 Q86TI2 3/20 0.38
DPP7 Q9UHL4 3/20 0.38
HSD11B1 P28845 1/20 0.34
CNR1 P21554 1/20 0.34
F2R P25116 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
GRM5 P41594 1/20 0.32

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
SCHEMBL4786936 0.82 FABP4 (0.40) CPT1ACPT2HCRTR1HCRTR2DPP4
SCHEMBL4805862 0.81 DPP4 (0.41) CPT1ACPT2HCRTR1HCRTR2DPP4
SCHEMBL4786112 0.72 DPP4 (0.42) CPT1ACPT2DPP4PREPDPP8
SCHEMBL4740069 0.71 DPP4 (0.49) CPT1ACPT2DPP4PREPDPP8
SCHEMBL4784332 0.70 CPT1A (0.51) CPT1ACPT2DPP4PREPDPP8
SCHEMBL12506047 0.69 HCRTR1 (0.38) CPT1ACPT2HCRTR1HCRTR2DPP4
SCHEMBL2023091 0.67 TUBB4A (0.42) CPT1ACPT2HCRTR1HCRTR2HSD11B1
SCHEMBL5569872 0.66 DPP4 (0.45) CPT1ACPT2DPP4PREPDPP8
Oxalic Acid SCHEMBL9702934 0.65 USP7 (0.49) CPT1ACPT2HCRTR1HCRTR2HSD11B1
Oxalic Acid SCHEMBL9702943 0.65 USP7 (0.49) CPT1ACPT2HCRTR1HCRTR2HSD11B1

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