SCHEMBL28302014

SCHEMBL28302014

CC(C)(C)OC(=O)NCCCC[C@@H](N)C(=O)N1CCC(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 11/20 0.61
DPP8 Q6V1X1 5/20 0.61
DPP4 P27487 10/20 0.60
DPP9 Q86TI2 3/20 0.60
KCNH2 Q12809 4/20 0.54
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
MAPT P10636 1/20 0.50
KLK7 P49862 2/20 0.49
KLK5 Q9Y337 2/20 0.49
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
ABCB1 P08183 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46

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
SCHEMBL28302016 1.00 DPP7 (0.61) DPP7DPP8DPP4DPP9KCNH2
SCHEMBL28399421 0.88 DPP7 (0.57) DPP7DPP8DPP4DPP9KCNH2
SCHEMBL28269379 0.87 TDP1 (0.47) DPP7DPP8DPP9MAPTCTSK
SCHEMBL28269377 0.87 TDP1 (0.47) DPP7DPP8DPP9MAPTCTSK
SCHEMBL28619779 0.86 EPHX2 (0.49) DPP7DPP8DPP4DPP9
SCHEMBL28629697 0.85 EPHX1 (0.48) DPP7DPP8DPP4DPP9MAPT
SCHEMBL20873003 0.84 DPP8 (0.58) DPP7DPP8DPP4DPP9ITGB3
SCHEMBL19708141 0.83 DPP8 (0.57) DPP7DPP8DPP4DPP9ITGB3
SCHEMBL19708142 0.83 DPP8 (0.57) DPP7DPP8DPP4DPP9ITGB3
SCHEMBL28618898 0.83 TDP1 (0.46) DPP7DPP8DPP4DPP9ITGB3

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
CN-109879934-A A kind of salt and preparation method thereof of phenylpropionyl amine derivant 江苏恒瑞医药股份有限公司 2019-06-14 CN disclosed