SCHEMBL6530734

SCHEMBL6530734

CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)c1nnc(C2(C)CCCCC2)o1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.44
DPP8 Q6V1X1 5/20 0.41
DPP7 Q9UHL4 5/20 0.41
ALDH1A1 P00352 2/20 0.32
EP300 Q09472 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PEPD P12955 1/20 0.30
XPNPEP1 Q9NQW7 1/20 0.30

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
SCHEMBL6531352 0.82 DPP4 (0.45) DPP4DPP8DPP7EP300
SCHEMBL6530127 0.81 DPP4 (0.56) DPP4DPP8DPP7ALDH1A1
SCHEMBL6530249 0.80 DPP4 (0.61) DPP4DPP8DPP7ALDH1A1PEPD
SCHEMBL6532393 0.80 DPP4 (0.61) DPP4DPP8DPP7ALDH1A1PEPD
SCHEMBL6533469 0.78 HSD17B10 (0.44) DPP4DPP8DPP7ALDH1A1TSHR
SCHEMBL6532914 0.75 DPP4 (0.42) DPP4DPP8DPP7ALDH1A1
SCHEMBL18591298 0.74 PEPD (0.48) DPP4DPP8DPP7ALDH1A1PEPD
SCHEMBL476146 0.74 PEPD (0.48) DPP4DPP8DPP7ALDH1A1PEPD
SCHEMBL2995724 0.74 PEPD (0.48) DPP4DPP8DPP7ALDH1A1PEPD
SCHEMBL3643891 0.74 PEPD (0.48) DPP4DPP8DPP7ALDH1A1PEPD

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