SCHEMBL6511976

SCHEMBL6511976

COc1ccccc1-c1nc(C(=O)C2CCCN2C(=O)CNC(C)(C)C)no1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.54
DPP8 Q6V1X1 6/20 0.54
DPP7 Q9UHL4 6/20 0.54
S1PR1 P21453 1/20 0.44
HCRTR1 O43613 7/20 0.43
HCRTR2 O43614 7/20 0.43
SCD5 Q86SK9 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6529820 0.84 DPP4 (0.47) DPP4DPP8DPP7S1PR1HCRTR1
SCHEMBL6532469 0.84 USP30 (0.45) S1PR1HCRTR1HCRTR2SCD5TSHR
SCHEMBL6519353 0.82 DPP4 (0.58) DPP4DPP8DPP7HCRTR1HCRTR2
SCHEMBL6533584 0.78 DPP4 (0.82) DPP4DPP8DPP7
SCHEMBL6530003 0.77 DPP4 (0.58) DPP4DPP8DPP7
SCHEMBL6514688 0.77 DPP4 (0.64) DPP4DPP8DPP7
SCHEMBL6510062 0.76 DPP4 (0.63) DPP4DPP8DPP7
SCHEMBL6529796 0.75 DPP4 (0.69) DPP4DPP8DPP7HCRTR1HCRTR2
SCHEMBL6510648 0.74 DPP4 (0.61) DPP4DPP8DPP7
SCHEMBL6530979 0.74 DPP4 (0.55) DPP4DPP8DPP7

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-2005037828-A1 NOVEL INHIBITORS OF DPP-IV, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2005-04-28 WO disclosed