SCHEMBL1025892

SCHEMBL1025892

N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)NCCNC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.59
CPB1 P15086 1/20 0.58
CPB2 Q96IY4 1/20 0.58
PTGER4 P35408 4/20 0.57
DPP8 Q6V1X1 2/20 0.55
DPP7 Q9UHL4 2/20 0.55
FOLH1 Q04609 2/20 0.54
SLC1A3 P43003 1/20 0.54
SLC1A1 P43005 1/20 0.54
HTT P42858 1/20 0.53
CTSL P07711 1/20 0.53
CTSS P25774 1/20 0.53
DPP4 P27487 1/20 0.52
DPP9 Q86TI2 1/20 0.52

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
SCHEMBL7321298 0.87 ANPEP (0.71) ANPEPCPB1CPB2DPP8DPP7
SCHEMBL1024192 0.87 CPB1 (0.64) CPB1CPB2PTGER4HTTCTSL
SCHEMBL5181015 0.87 CPB1 (0.64) CPB1CPB2PTGER4HTTCTSL
Hydrochloric Acid SCHEMBL4846648 0.86 CPB1 (0.63) CPB1CPB2PTGER4HTTCTSL
SCHEMBL1509765 0.85 CPB1 (0.70) ANPEPCPB1CPB2DPP8DPP7
Hydrochloric Acid SCHEMBL4853195 0.84 CPB1 (0.48) ANPEPCPB1CPB2PTGER4DPP8
SCHEMBL26222670 0.84 CTSL (0.59) SLC1A3SLC1A1CTSLCTSS
SCHEMBL16869913 0.84 ANPEP (0.61) ANPEPCPB1CPB2DPP8DPP7
Hydrochloric Acid SCHEMBL9875758 0.84 ANPEP (0.61) ANPEPCPB1CPB2PTGER4DPP8
SCHEMBL16782306 0.83 SIRT2 (0.66) CPB1CPB2PTGER4FOLH1

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
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP disclosed