SCHEMBL4448044

SCHEMBL4448044

CC(C)(N1CCNCCNCC1)N1CCNCCNCC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.35
MAPT P10636 1/20 0.35
PDE4A P27815 1/20 0.35
KDR P35968 1/20 0.35
ADRB1 P08588 2/20 0.32
SIGMAR1 Q99720 1/20 0.31
CXCR4 P61073 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ADRB2 P07550 1/20 0.30
NCF1 P14598 1/20 0.30
PLD1 Q13393 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
SCHEMBL6556071 0.97 ADRB1 (0.33) ADRB1SIGMAR1ADRB2NCF1PLD1
SCHEMBL25753249 0.87
SCHEMBL22375421 0.82 HIF1A (0.35) HIF1AMAPTPDE4AKDRADRB1
SCHEMBL14805909 0.82 HIF1A (0.35) HIF1AMAPTPDE4AKDRADRB1
SCHEMBL104919 0.79 ADRB1 (0.33) ADRB1SIGMAR1
SCHEMBL3888868 0.79 ADRB1 (0.33) ADRB1SIGMAR1
SCHEMBL9582917 0.79 ADRB1 (0.33) ADRB1SIGMAR1
SCHEMBL2127388 0.78 HIF1A (0.32) HIF1AMAPTPDE4AKDRADRB1
Bromide SCHEMBL4160212 0.77 ADRB1 (0.32) ADRB1SIGMAR1
Hydrochloric Acid SCHEMBL2422010 0.77 HPGD (0.33) ADRB1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689384-A4 COMPLEXES OF CYCLIC POLYAZA CHELATORS WITH CATIONS OF ALKALINE EARTH METALS FOR ENHANCED BIOLOGICAL ACTIVITY CONCAT LP (US) 2009-05-06 EP disclosed
EP-1689384-A1 COMPLEXES OF CYCLIC POLYAZA CHELATORS WITH CATIONS OF ALKALINE EARTH METALS FOR ENHANCED BIOLOGICAL ACTIVITY Concat LP (US) 2006-08-16 EP disclosed
WO-2005053674-A1 COMPLEXES OF CYCLIC POLYAZA CHELATORS WITH CATIONS OF ALKALINE EARTH METALS FOR ENHANCED BIOLOGICAL ACTIVITY CONCAT LP (US) 2005-06-16 WO disclosed
WO-2003105827-A1 NEUROPROTECTION AND CARDIOPROTECTION AFFORDED BY CHELATORS WITH HIGH AFFINITY AND SPECIFICITY FOR CATIONS OF FIRST TRANSITION SERIES ELEMENTS CONCAT, LTD. (US) 2003-12-24 WO disclosed
EP-0841951-A2 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS, AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS CONCAT LTD. (US) 1998-05-20 EP disclosed
WO-1997001360-A2 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS CONCAT, LTD. (US) 1997-01-16 WO disclosed