SCHEMBL6531363

SCHEMBL6531363

COCOCC(C)(C)NCCN1C[C@@H](F)CC1C(=O)c1nnc(-c2ccccc2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.38
DPP8 Q6V1X1 3/20 0.38
DPP7 Q9UHL4 3/20 0.38
MCHR1 Q99705 4/20 0.36
KCNH2 Q12809 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PTPN1 P18031 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CTSK P43235 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL6530309 0.79 DPP4 (0.58) DPP4DPP8DPP7
SCHEMBL6530130 0.76 DPP4 (0.54) DPP4DPP8DPP7
SCHEMBL6534109 0.73 DPP4 (0.66) DPP4DPP8DPP7
SCHEMBL6529810 0.73 DPP4 (0.70) DPP4DPP8DPP7
SCHEMBL6532914 0.72 DPP4 (0.42) DPP4DPP8DPP7MCHR1KCNH2
SCHEMBL6533454 0.71 DPP4 (0.59) DPP4DPP8DPP7
SCHEMBL6530262 0.70 DPP4 (0.45) DPP4DPP8DPP7
SCHEMBL6528894 0.70 DPP4 (0.52) DPP4DPP8DPP7ALDH1A1GAA
SCHEMBL6530567 0.70 DPP4 (0.76) DPP4DPP8DPP7
SCHEMBL6527980 0.68 DPP4 (0.45) DPP4DPP8DPP7KCNH2ALDH1A1

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