SCHEMBL6532469

SCHEMBL6532469

COc1ccccc1-c1nc(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)no1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.45
UCHL1 P09936 1/20 0.45
S1PR1 P21453 1/20 0.44
EPHX2 P34913 1/20 0.43
SCD5 Q86SK9 1/20 0.43
HCRTR1 O43613 8/20 0.42
HCRTR2 O43614 8/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL6511976 0.84 DPP4 (0.54) S1PR1SCD5HCRTR1HCRTR2TSHR
SCHEMBL6528825 0.82 USP30 (0.47) USP30UCHL1EPHX2KDM4EPOLB
SCHEMBL6527845 0.78 DPP4 (0.61) USP30UCHL1KDM4EPOLBTSHR
SCHEMBL6529820 0.77 DPP4 (0.47) S1PR1SCD5HCRTR1HCRTR2TSHR
SCHEMBL6533019 0.77 DPP4 (0.61) USP30UCHL1EPHX2KDM4EPOLB
SCHEMBL17064042 0.77 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL17064040 0.77 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL16465832 0.76 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL16465831 0.76 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL6532079 0.76 HSD17B10 (0.47) USP30UCHL1KDM4EPOLBNPC1

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