SCHEMBL6519353

SCHEMBL6519353

CC(C)(C)NCC(=O)N1CCCC1C(=O)c1noc(-c2ccc(F)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.58
DPP8 Q6V1X1 10/20 0.58
DPP7 Q9UHL4 9/20 0.58
DPP9 Q86TI2 1/20 0.40
TSHR P16473 1/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
GRM5 P41594 1/20 0.38
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
ACKR3 P25106 1/20 0.37

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
SCHEMBL6529796 0.92 DPP4 (0.69) DPP4DPP8DPP7TSHRHCRTR1
SCHEMBL6530003 0.90 DPP4 (0.58) DPP4DPP8DPP7SPHK2SPHK1
SCHEMBL6530979 0.87 DPP4 (0.55) DPP4DPP8DPP7SPHK2SPHK1
SCHEMBL6511976 0.82 DPP4 (0.54) DPP4DPP8DPP7TSHRHCRTR1
SCHEMBL6528825 0.82 USP30 (0.47) DPP4DPP8DPP7GRM5
SCHEMBL6533584 0.81 DPP4 (0.82) DPP4DPP8DPP7DPP9
SCHEMBL6514688 0.79 DPP4 (0.64) DPP4DPP8DPP7DPP9
SCHEMBL6530636 0.79 DPP4 (0.74) DPP4DPP8DPP7DPP9
SCHEMBL6510062 0.79 DPP4 (0.63) DPP4DPP8DPP7DPP9
SCHEMBL6510648 0.77 DPP4 (0.61) DPP4DPP8DPP7DPP9

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