SCHEMBL5594520

SCHEMBL5594520

[CH2]N1CCN(C(=O)OCCCC)CC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
LMNA P02545 1/20 0.65
HRH2 P25021 6/20 0.47
HRH1 P35367 6/20 0.47
ALDH1A1 P00352 6/20 0.45
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.40
GAA P10253 2/20 0.40

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
SCHEMBL9405372 0.92 POLB (0.73) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL14590615 0.85 POLB (0.65) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL5594524 0.85 POLB (0.65) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL27826063 0.85 SMN1; SMN2 (0.65) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL1859157 0.85 SMN1; SMN2 (0.69) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL3634052 0.85 SMN1; SMN2 (0.69) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL6129170 0.85 POLB (0.64) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL29737753 0.84 POLB (0.63) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL11492059 0.83 SMN1; SMN2 (0.67) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL7838421 0.83 SMN1; SMN2 (0.67) POLBSMN1; SMN2LMNAHRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189606-B1 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RES & DEV (IL) 2007-08-15 EP claimed
US-6855711-B1 Pharmaceutical compositions comprising iron chelators for the treatment of neurodegenerative disorders and some novel iron chelators YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-02-15 US claimed
EP-1189606-A2 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RESEARCH AND DEVELOPMENT Co. LTD. (IL) 2002-03-27 EP claimed
WO-2000074664-A2 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2000-12-14 WO claimed
EP-1189606-B1 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RES & DEV (IL) 2007-08-15 EP disclosed
US-6855711-B1 Pharmaceutical compositions comprising iron chelators for the treatment of neurodegenerative disorders and some novel iron chelators YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-02-15 US disclosed
EP-1189606-A2 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RESEARCH AND DEVELOPMENT Co. LTD. (IL) 2002-03-27 EP disclosed
WO-2000074664-A2 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2000-12-14 WO disclosed