SCHEMBL6530822

SCHEMBL6530822

CCC(C)(C)c1nnc(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.51
DPP7 Q9UHL4 3/20 0.51
DPP8 Q6V1X1 2/20 0.51
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EPHX2 P34913 1/20 0.45
TSHR P16473 3/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.42
KLK7 P49862 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN3A Q9NY46 1/20 0.41

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
SCHEMBL6530105 0.89 DPP4 (0.60) DPP4DPP7DPP8ALDH1A1MEN1
SCHEMBL6530405 0.89 DPP4 (0.60) DPP4DPP7DPP8ALDH1A1MEN1
SCHEMBL6532846 0.84 ALDH1A1 (0.50) DPP4DPP7DPP8ALDH1A1MEN1
SCHEMBL6529896 0.82 DPP4 (0.59) DPP4DPP7DPP8ALDH1A1MEN1
SCHEMBL6529985 0.81 DPP4 (0.68) DPP4DPP7DPP8SMN1; SMN2LMNA
SCHEMBL6533243 0.81 DPP4 (0.52) DPP4DPP7DPP8ALDH1A1MEN1
SCHEMBL6532278 0.79 PKM (0.52) DPP4DPP7DPP8ALDH1A1MEN1
SCHEMBL6533469 0.78 HSD17B10 (0.44) DPP4DPP7DPP8ALDH1A1MEN1
SCHEMBL6532752 0.76 USP30 (0.50) ALDH1A1MEN1KMT2AL3MBTL1EPHX2
SCHEMBL6528175 0.75 DPP4 (0.58) DPP4DPP7DPP8SMN1; SMN2LMNA

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