SCHEMBL5440658

SCHEMBL5440658

NCCCC[C@H](N)C(=O)OC(=O)CC(=O)OC(=O)[C@@H](N)CCCCN

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.53
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
DPP7 Q9UHL4 7/20 0.40
DPP8 Q6V1X1 3/20 0.40
DPP9 Q86TI2 3/20 0.40
RNPEP Q9H4A4 1/20 0.38
DPP4 P27487 1/20 0.38
CPB2 Q96IY4 2/20 0.38
FOLH1 Q04609 1/20 0.38
MMP2 P08253 1/20 0.37
TLR2 O60603 2/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL845919 0.89 GSR (0.53) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL21988570 0.89 GSR (0.53) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL1191631 0.89 GSR (0.53) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL5010331 0.89 GSR (0.53) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL1404247 0.88 GSR (0.61) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL344574 0.88 GSR (0.61) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL20240364 0.88 GSR (0.61) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL23757442 0.87 GSR (0.52) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL8836895 0.87 GSR (0.52) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL15408573 0.87 GSR (0.52) GSRGNAI3GNAO1GNAI1DPP7

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-20070128339-A1 Nutrient modified food composition MANKOVITZ ROY J 2007-06-07 US disclosed