SCHEMBL4784724

SCHEMBL4784724

O=C(O)N1Cc2ccccc2C[C@H]1c1nc(C2CCC2)no1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 5/20 0.45
CPT2 P23786 4/20 0.45
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HSD11B1 P28845 4/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
DPP4 P27487 1/20 0.38
PREP P48147 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
GRM5 P41594 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
NR1H4 Q96RI1 1/20 0.36

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 0.77 CPT1A (0.51) CPT1ACPT2DPP4PREPDPP8
SCHEMBL4740069 0.75 DPP4 (0.49) CPT1ACPT2HSD11B1DPP4PREP
SCHEMBL8194122 0.73 DPP4 (0.42) CPT1ACPT2DPP4PREPDPP8
SCHEMBL4786936 0.68 FABP4 (0.40) CPT1ACPT2HSD11B1HCRTR1HCRTR2
SCHEMBL5569872 0.68 DPP4 (0.45) CPT1ACPT2DPP4PREPDPP8
SCHEMBL5569869 0.68 DPP4 (0.45) CPT1ACPT2DPP4PREPDPP8
SCHEMBL953961 0.68 CPT1A (0.49) CPT1ACPT2DPP4PREPDPP8
SCHEMBL953960 0.68 CPT1A (0.49) CPT1ACPT2DPP4PREPDPP8
SCHEMBL21163180 0.65 GRM5 (0.56) GRM5
SCHEMBL21163954 0.65 GRM5 (0.56) GRM5

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