SCHEMBL19708142

SCHEMBL19708142

CC(C)(C)OC(=O)NCCCCC(N)C(=O)N1CCC(NC(=O)OCc2ccccc2)(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 5/20 0.57
DPP7 Q9UHL4 4/20 0.57
DPP9 Q86TI2 3/20 0.56
DPP4 P27487 3/20 0.56
MAPT P10636 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
TGM2 P21980 5/20 0.46
KLK7 P49862 2/20 0.43
KLK5 Q9Y337 2/20 0.43
ANPEP P15144 1/20 0.43
ABCB1 P08183 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
SYK P43405 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL19708141 1.00 DPP8 (0.57) DPP8DPP7DPP9DPP4MAPT
SCHEMBL21009950 0.99 DPP8 (0.56) DPP8DPP7DPP9DPP4MAPT
SCHEMBL20873003 0.94 DPP8 (0.58) DPP8DPP7DPP9DPP4MAPT
SCHEMBL26120901 0.84 TGM2 (0.58) ITGB3ITGA2BTGM2KLK7KLK5
SCHEMBL26120906 0.84 TGM2 (0.58) ITGB3ITGA2BTGM2KLK7KLK5
SCHEMBL25597448 0.83 MAPT (0.43) DPP8DPP7DPP9DPP4MAPT
SCHEMBL28302014 0.83 DPP7 (0.61) DPP8DPP7DPP9DPP4MAPT
SCHEMBL28302016 0.83 DPP7 (0.61) DPP8DPP7DPP9DPP4MAPT
SCHEMBL21009797 0.82 MEN1 (0.40) DPP8DPP7DPP9DPP4MAPT
SCHEMBL19708418 0.82 MEN1 (0.40) DPP8DPP7DPP9DPP4MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3466962-A1 PHENYL PROPANAMIDE DERIVATIVE, AND MANUFACTURING METHOD AND PHARMACEUTICAL APPLICATION THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2019-04-10 EP disclosed
WO-2017211272-A1 PHENYL PROPANAMIDE DERIVATIVE, AND MANUFACTURING METHOD AND PHARMACEUTICAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2017-12-14 WO disclosed