SCHEMBL6530249

SCHEMBL6530249

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.61
DPP8 Q6V1X1 6/20 0.61
DPP7 Q9UHL4 6/20 0.54
ELANE P08246 2/20 0.38
HSD11B1 P28845 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PEPD P12955 1/20 0.33
XPNPEP1 Q9NQW7 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTPN1 P18031 1/20 0.32
UCHL1 P09936 1/20 0.32
HTRA1 Q92743 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
SCHEMBL6532393 1.00 DPP4 (0.61) DPP4DPP8DPP7ELANEHSD11B1
SCHEMBL6530127 0.87 DPP4 (0.56) DPP4DPP8DPP7HSD11B1ALDH1A1
SCHEMBL6532914 0.81 DPP4 (0.42) DPP4DPP8DPP7ALDH1A1PTPN1
SCHEMBL6530734 0.80 DPP4 (0.44) DPP4DPP8DPP7ALDH1A1PEPD
SCHEMBL6529428 0.80 DPP4 (0.66) DPP4DPP8DPP7HSD11B1CYP1A2
SCHEMBL6529292 0.80 DPP4 (0.66) DPP4DPP8DPP7HSD11B1CYP1A2
SCHEMBL6532577 0.80 DPP4 (0.68) DPP4DPP8DPP7ELANEPEPD
SCHEMBL6532173 0.79 DPP4 (0.83) DPP4DPP8DPP7
SCHEMBL6530105 0.79 DPP4 (0.60) DPP4DPP8DPP7ALDH1A1UCHL1
SCHEMBL6530405 0.79 DPP4 (0.60) DPP4DPP8DPP7ALDH1A1UCHL1

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