SCHEMBL4702268

SCHEMBL4702268

CCC(N)C(=O)OC(=O)C(N)CCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 5/20 0.41
RRM1 P23921 1/20 0.40
DPP8 Q6V1X1 3/20 0.37
DPP9 Q86TI2 3/20 0.37
GABRR1 P24046 2/20 0.35
GSR P00390 1/20 0.33
CPB2 Q96IY4 2/20 0.33
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
CYP1A2 P05177 1/20 0.32
DPP4 P27487 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
GABBR2 O75899 1/20 0.30

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
SCHEMBL28782508 0.88 GSR (0.44) DPP7RRM1DPP8DPP9GSR
SCHEMBL23777420 0.87 SLC1A3 (0.39) DPP7DPP8DPP9SLC1A3SLC1A2
SCHEMBL27831626 0.84 GSR (0.42) GABRR1GSRSLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL27938118 0.84 SLC1A3 (0.38) DPP7DPP8DPP9SLC1A3SLC1A2
SCHEMBL1658906 0.83 GSR (0.35) DPP7RRM1DPP8DPP9GABRR1
SCHEMBL20636766 0.81 DPP7 (0.38) DPP7RRM1DPP8DPP9GABRR1
SCHEMBL2801193 0.80 CYP1A2 (0.52) DPP8DPP9GSRSLC1A3SLC1A2
SCHEMBL29059542 0.80 CYP1A2 (0.52) DPP8DPP9GSRSLC1A3SLC1A2
SCHEMBL10799266 0.78 CPB2 (0.46) DPP7RRM1DPP8DPP9GABRR1
SCHEMBL10453681 0.78 SLC1A3 (0.34) DPP7DPP8DPP9SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678133-A4 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIV WESTERN SYDNEY (AU) 2008-06-18 EP disclosed
EP-1678133-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES University of Western Sydney (AU) 2006-07-12 EP disclosed
WO-2005033077-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIVERSITY OF WESTERN SYDNEY (AU) 2005-04-14 WO disclosed