SCHEMBL15501038

SCHEMBL15501038

N[C@H](CCCCN(Cc1nccn1CC(=O)O)Cc1nccn1CC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.50
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
FPR2 P25090 1/20 0.38
SLC1A5 Q15758 9/20 0.36
GSR P00390 1/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CXCR4 P61073 1/20 0.34
NOS1 P29475 1/20 0.33

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
SCHEMBL13233388 1.00 ARG1 (0.50) ARG1DPP8DPP9DPP7FPR2
SCHEMBL2838808 1.00 ARG1 (0.50) ARG1DPP8DPP9DPP7FPR2
SCHEMBL13233375 0.92 ARG1 (0.49) ARG1DPP8DPP9DPP7SLC1A5
SCHEMBL13263667 0.88 ARG1 (0.40) ARG1DPP8DPP9DPP7FPR2
SCHEMBL13233376 0.87 ARG1 (0.52) ARG1DPP8DPP9DPP7SLC1A5
SCHEMBL13263990 0.86 ARG1 (0.51) ARG1DPP8DPP9DPP7SLC1A5
SCHEMBL1741937 0.85 ARG1 (0.43) ARG1DPP8DPP9DPP7FPR2
SCHEMBL1741941 0.85 ARG1 (0.43) ARG1DPP8DPP9DPP7FPR2
SCHEMBL2504723 0.83 ARG1 (0.46) ARG1DPP8DPP9DPP7SLC1A5
SCHEMBL15834883 0.83 ARG1 (0.46) ARG1DPP8DPP9DPP7SLC1A5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2706057-B1 Bis(imidazolyl)compounds and radionuclide complexes MOLECULAR INSIGHT PHARM INC (US) 2016-04-20 EP disclosed
EP-2706057-A1 Bis(imidazolyl)compounds and radionuclide complexes Molecular Insight Pharmaceuticals, Inc. (US) 2014-03-12 EP disclosed