SCHEMBL1650448

SCHEMBL1650448

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.38
DPP8 Q6V1X1 2/20 0.37
DPP4 P27487 2/20 0.37
DPP9 Q86TI2 1/20 0.37
BMP1 P13497 1/20 0.36
TASP1 Q9H6P5 1/20 0.36
DPP7 Q9UHL4 1/20 0.34
ENPEP Q07075 7/20 0.33
CASP1 P29466 1/20 0.33
CASP3 P42574 1/20 0.33
CASP4 P49662 1/20 0.33
CASP5 P51878 1/20 0.33
CASP9 P55211 1/20 0.33
CASP6 P55212 1/20 0.33
CASP8 Q14790 1/20 0.33
CASP10 Q92851 1/20 0.33
BACE1 P56817 1/20 0.32
MAGI3 Q5TCQ9 1/20 0.31
SLC15A1 P46059 1/20 0.31

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
SCHEMBL9637205 0.84 DPP4 (0.41) DPP8DPP4DPP9DPP7ENPEP
SCHEMBL9637204 0.84 DPP4 (0.41) DPP8DPP4DPP9DPP7ENPEP
SCHEMBL3060526 0.82 DPP8 (0.42) DPP8DPP4DPP9DPP7
SCHEMBL2197913 0.81 DPP4 (0.48) DPP8DPP4DPP9BMP1ENPEP
SCHEMBL3422273 0.80 ENPEP (0.46) NOD1TASP1ENPEPCASP1CASP3
SCHEMBL3422282 0.80 ENPEP (0.46) NOD1TASP1ENPEPCASP1CASP3
SCHEMBL2185034 0.78 TASP1 (0.42) DPP8DPP4DPP9TASP1ENPEP
SCHEMBL2503880 0.77 NOD1 (0.57) NOD1DPP8DPP4DPP9BMP1
SCHEMBL2503883 0.77 NOD1 (0.57) NOD1DPP8DPP4DPP9BMP1
SCHEMBL9637243 0.75 ACE (0.53)

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-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed