SCHEMBL10658804

SCHEMBL10658804

CC(NC(=O)C(C)NC(=O)C(N)CCCCN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.55
DPP8 Q6V1X1 6/20 0.51
DPP9 Q86TI2 6/20 0.51
DPP7 Q9UHL4 5/20 0.51
GNAI3 P08754 1/20 0.48
GNAO1 P09471 1/20 0.48
GNAI1 P63096 1/20 0.48
DPP4 P27487 3/20 0.46
MMP2 P08253 1/20 0.42
RNPEP Q9H4A4 1/20 0.41
FOLH1 Q04609 1/20 0.40
THRB P10828 1/20 0.39
SLC15A1 P46059 1/20 0.39
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
CPB2 Q96IY4 2/20 0.38
LTA4H P09960 1/20 0.38
TLR2 O60603 1/20 0.38

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
SCHEMBL10623775 1.00 GSR (0.55) GSRDPP8DPP9DPP7GNAI3
SCHEMBL1985169 1.00 GSR (0.55) GSRDPP8DPP9DPP7GNAI3
SCHEMBL10658822 1.00 GSR (0.55) GSRDPP8DPP9DPP7GNAI3
SCHEMBL2115366 0.97 GSR (0.58) GSRDPP8DPP9DPP7GNAI3
SCHEMBL7781619 0.97 GSR (0.58) GSRDPP8DPP9DPP7GNAI3
SCHEMBL1641744 0.97 GSR (0.58) GSRDPP8DPP9DPP7GNAI3
SCHEMBL2115368 0.97 GSR (0.58) GSRDPP8DPP9DPP7GNAI3
SCHEMBL17510190 0.97 GSR (0.58) GSRDPP8DPP9DPP7GNAI3
SCHEMBL1641741 0.97 GSR (0.58) GSRDPP8DPP9DPP7GNAI3
SCHEMBL9705058 0.97 GSR (0.58) GSRDPP8DPP9DPP7GNAI3

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-4730006-A BACTERICIDES MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-08 US disclosed