SCHEMBL4551095

SCHEMBL4551095

COc1cccc(CN2CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC2)c1.[Gd+3]

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.66
GAA P10253 2/20 0.64
TSHR P16473 1/20 0.64
FAAH O00519 2/20 0.62
ALDH1A1 P00352 6/20 0.61
KDM4E B2RXH2 5/20 0.61
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
ATM Q13315 1/20 0.60
MAPT P10636 2/20 0.58
LMNA P02545 2/20 0.58
RECQL P46063 1/20 0.58
HTT P42858 2/20 0.57

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
SCHEMBL4413334 0.86 SIGMAR1 (0.74) SIGMAR1GAATSHRFAAHALDH1A1
SCHEMBL4551093 0.85 SIGMAR1 (0.72) SIGMAR1GAATSHRFAAHALDH1A1
SCHEMBL27615815 0.85 SIGMAR1 (0.68) SIGMAR1GAATSHRFAAHALDH1A1
SCHEMBL1383233 0.85 SIGMAR1 (0.68) SIGMAR1GAATSHRFAAHALDH1A1
SCHEMBL28186295 0.84 SIGMAR1 (0.90) SIGMAR1GAATSHRFAAHALDH1A1
SCHEMBL20804357 0.84 SIGMAR1 (0.90) SIGMAR1GAATSHRFAAHALDH1A1
SCHEMBL19049381 0.81 ALDH1A1 (0.71) SIGMAR1GAAFAAHALDH1A1KDM4E
SCHEMBL2931334 0.81 SIGMAR1 (0.74) SIGMAR1GAAFAAHALDH1A1KDM4E
SCHEMBL4552412 0.80 CYP2D6 (0.54) GAATSHRFAAHALDH1A1KDM4E
SCHEMBL13673066 0.79 SIGMAR1 (0.62) SIGMAR1GAATSHRFAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608249-B2 Enhanced substrate imaging by reversible binding to a paramagnetic complex BRACCO IMAGING S.P.A. (IT) 2009-10-27 US disclosed
EP-1434768-B1 ENHANCED SUBSTRATE IMAGING BY REVERSIBLE BINDING TO A PARAMAGNETIC COMPLEX BRACCO IMAGING SPA (IT) 2009-08-12 EP disclosed
US-20040258618-A1 Enhanced substrate imaging by reversible binding to a paramagnetic complex BRACCO IMAGING S.P.A. (IT) 2004-12-23 US disclosed
EP-1434768-A1 ENHANCED SUBSTRATE IMAGING BY REVERSIBLE BINDING TO A PARAMAGNETIC COMPLEX Bracco Imaging S.p.A. (IT) 2004-07-07 EP disclosed
WO-2003033479-A1 ENHANCED SUBSTRATE IMAGING BY REVERSIBLE BINDING TO A PARAMAGNETIC COMPLEX BRACCO IMAGING S.P.A. (IT) 2003-04-24 WO disclosed