SCHEMBL825333

SCHEMBL825333

CCCCCCCCN1CCNCC[N+](Cn2cccn2)(Cn2cccn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOD3 P08294 2/20 0.40
GNAO1 P09471 6/20 0.39
GNAI3 P08754 5/20 0.39
GNAI1 P63096 5/20 0.39
CXCR4 P61073 1/20 0.35
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
SIGMAR1 Q99720 3/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL825324 0.85 CHRNA7 (0.34)
SCHEMBL825466 0.82 CHRNA7 (0.34)
SCHEMBL3381592 0.81 SOD3 (0.47) SOD3GNAO1GNAI3GNAI1CXCR4
SCHEMBL825254 0.76 SOD3 (0.41) SOD3GNAO1GNAI3GNAI1CXCR4
SCHEMBL21581257 0.72 GNAO1 (0.65) SOD3GNAO1GNAI3GNAI1CXCR4
SCHEMBL21581259 0.72 GNAO1 (0.65) SOD3GNAO1GNAI3GNAI1CXCR4
SCHEMBL21581281 0.72 GNAO1 (0.65) SOD3GNAO1GNAI3GNAI1CXCR4
SCHEMBL21581269 0.72 GNAO1 (0.65) SOD3GNAO1GNAI3GNAI1CXCR4
SCHEMBL162842 0.72 GNAO1 (0.65) SOD3GNAO1GNAI3GNAI1CXCR4
SCHEMBL5394694 0.72 GNAO1 (0.65) SOD3GNAO1GNAI3GNAI1CXCR4

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-2521750-A1 CURING LIQUIDS OMG Additives Limited (GB) 2012-11-14 EP claimed
WO-2011083309-A1 CURING LIQUIDS UNILEVER PLC (GB) 2011-07-14 WO claimed
EP-2582744-A1 ACCELERATOR SOLUTION AND PROCESS FOR CURING CURABLE RESINS Akzo Nobel Chemicals International B.V. (NL) 2013-04-24 EP disclosed
EP-2521750-A1 CURING LIQUIDS OMG Additives Limited (GB) 2012-11-14 EP disclosed
WO-2011157673-A1 ACCELERATOR SOLUTION AND PROCESS FOR CURING CURABLE RESINS AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2011-12-22 WO disclosed
WO-2011083309-A1 CURING LIQUIDS UNILEVER PLC (GB) 2011-07-14 WO disclosed