SCHEMBL27723360

SCHEMBL27723360

CCc1nc(CC(C)(C)C)c(CNC(=O)OC(C)(C)C)c(-c2ccc(CN)cc2)c1OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.43
DPP9 Q86TI2 8/20 0.43
DPP8 Q6V1X1 6/20 0.43
ACACB O00763 2/20 0.36
ACACA Q13085 2/20 0.36
GRM2 Q14416 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
NR1H2 P55055 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HDAC1 Q13547 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL27665041 0.90 DPP4 (0.43) DPP4DPP9DPP8ACACBACACA
SCHEMBL5240240 0.90 DPP4 (0.48) DPP4DPP9DPP8GRM2CYP1A2
SCHEMBL27702867 0.88 DPP4 (0.55) DPP4DPP9DPP8
SCHEMBL27702869 0.84 DPP4 (0.40) DPP4DPP9DPP8ACACBACACA
SCHEMBL5241529 0.80 DPP4 (0.46) DPP4DPP9DPP8GRM2CYP1A2
SCHEMBL5239762 0.80 DPP4 (0.67) DPP4DPP9DPP8
SCHEMBL27643612 0.79 DPP4 (0.44) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5242996 0.79 DPP4 (0.69) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL27664869 0.76 DPP4 (0.57) DPP4DPP9DPP8
SCHEMBL5449935 0.75 DPP4 (0.55) DPP4DPP9DPP8

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-101166725-A Pyridylacetic acid compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-04-23 CN disclosed