SCHEMBL6859337

SCHEMBL6859337

NCCCC[C@@H](C(=O)O)N(CCCN)CCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.50
RNPEP Q9H4A4 1/20 0.48
CPB2 Q96IY4 6/20 0.44
FOLH1 Q04609 1/20 0.39
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
NOD1 Q9Y239 2/20 0.36
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PLG P00747 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
SLC6A2 P23975 1/20 0.35
RECQL P46063 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KMT2A Q03164 1/20 0.35
CPB1 P15086 1/20 0.35

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
SCHEMBL6859332 1.00 GSR (0.50) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL4689786 0.89 GSR (0.47) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL4689784 0.89 GSR (0.47) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL9062119 0.88 NOD1 (0.49) GSRCPB2NOD1
SCHEMBL9634474 0.88 NOD1 (0.49) GSRRNPEPCPB2NOD1MEN1
SCHEMBL9634471 0.88 NOD1 (0.49) GSRRNPEPCPB2NOD1MEN1
SCHEMBL4300231 0.87 GSR (0.46) GSRRNPEPCPB2FOLH1NOD1
Lysepsin A SCHEMBL9012919 0.87 GSR (0.46) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL4300233 0.87 GSR (0.46) GSRRNPEPCPB2FOLH1NOD1
SCHEMBL341674 0.86 NOD1 (0.51) GSRCPB2NOD1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6719958-B1 DIAGNOSTIC IMAGING; CONTRAST AGENTS FOR TISSUES OR ORGANS DIBRA S.P.A. (IT) 2004-04-13 US disclosed
EP-1151997-A1 Polychelants, their complexes with metal ions, their preparation and their uses BRACCO S.p.A. (IT) 2001-11-07 EP disclosed
EP-0885202-A1 POLYCHELANTS, THEIR COMPLEXES WITH METAL IONS, THEIR PREPARATION AND THEIR USES BRACCO S.p.A. (IT) 1998-12-23 EP disclosed
WO-1997032862-A1 POLYCHELANTS, THEIR COMPLEXES WITH METAL IONS, THEIR PREPARATION AND THEIR USES BRACCO S.P.A. (IT) 1997-09-12 WO disclosed