SCHEMBL27664909

SCHEMBL27664909

Cc1nc(CC(C)C)c(CNC(=O)OC(C)(C)C)c(-c2ccc(CN)cc2)c1NC(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.40
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
CCR2 P41597 2/20 0.37
LIPE Q05469 1/20 0.37
NAMPT P43490 2/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5740676 0.93 DPP4 (0.41) DPP4CCR2LIPENAMPTDPP8
SCHEMBL27664868 0.91 DPP4 (0.44) DPP4ACACBACACADPP8DPP9
SCHEMBL27643669 0.88 DPP4 (0.39) DPP4NAMPTDPP8DPP9
Hydrochloric Acid SCHEMBL27644405 0.88 DPP4 (0.48) DPP4DPP8DPP9
SCHEMBL27664912 0.86 DPP4 (0.40) DPP4LIPEDPP9
SCHEMBL27664907 0.86 DPP4 (0.42) DPP4ACACBACACADPP8DPP9
SCHEMBL5462671 0.84 DPP4 (0.43) DPP4LIPEDPP8DPP9KDM4E
Hydrochloric Acid SCHEMBL5446161 0.82 DPP4 (0.54) DPP4DPP8DPP9
SCHEMBL28758192 0.82 DPP4 (0.46) DPP4DPP8DPP9KDM4EMAPT
SCHEMBL5456427 0.82 DPP4 (0.42) DPP4DPP8DPP9

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-1886376-A Pyridine compounds as dipeptidyl dipeptidase-IV inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-12-27 CN disclosed