SCHEMBL15765338

SCHEMBL15765338

CC(=O)CC[C@@H](C=O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(C)=O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
CTSC P53634 1/20 0.38
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GSR P00390 1/20 0.37
CYP1A2 P05177 1/20 0.37
GRIK1 P39086 1/20 0.37
GRM5 P41594 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
GRIA4 P48058 1/20 0.37
GRIN1 Q05586 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
SCHEMBL18551941 0.93 DPP4 (0.48) DPP4DPP8DPP9CTSCGRM8
SCHEMBL19005183 0.93 DPP4 (0.48) DPP4DPP8DPP9CTSCGRM8
SCHEMBL17793245 0.93 DPP4 (0.48) DPP4DPP8DPP9CTSCGRM8
SCHEMBL16421595 0.86 DPP4 (0.54) DPP4DPP8DPP9CTSCGRM8
SCHEMBL17985753 0.86 DPP4 (0.54) DPP4DPP8DPP9CTSCGRM8
SCHEMBL18073553 0.82 ENPEP (0.36) DPP4DPP8DPP9CTSCBMP1
SCHEMBL16330123 0.82 ENPEP (0.36) DPP4DPP8DPP9CTSCBMP1
SCHEMBL10267601 0.82 DPP4 (0.54) DPP4DPP8DPP9GRM8GRM6
SCHEMBL17986616 0.81 DPP4 (0.42) DPP4DPP8DPP9CTSCGRM8
SCHEMBL18519837 0.80 DPP4 (0.45) DPP4DPP8DPP9CTSCGRM8

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
US-20140154702-A1 Methods For Treating Cancer Using Combination Therapies ENDOCYTE INC (US) 2014-06-05 US disclosed