SCHEMBL825220

SCHEMBL825220

CCCCCCCCN1CCNCC[N+](Cc2ccc3ccccc3n2)(Cc2ccc3ccccc3n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.40
SOD3 P08294 2/20 0.39
HTR1A P08908 2/20 0.38
SLC6A4 P31645 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
USP2 O75604 1/20 0.38
HTR3B O95264 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADRB1 P08588 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR2C P28335 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR7 P34969 1/20 0.38
HTT P42858 1/20 0.38
HTR3A P46098 1/20 0.38
HTR6 P50406 1/20 0.38
PMP22 Q01453 1/20 0.38
HTR3D Q70Z44 1/20 0.38

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
SCHEMBL825294 0.87 HRH3 (0.46) HTR1ASLC6A4KDM4EHTR3EUSP2
SCHEMBL825198 0.82 KDM4E (0.45) HTR1ASLC6A4KDM4EHTR3EUSP2
SCHEMBL1332790 0.76 SLC2A1 (0.51) SLC2A1HTR1AKDM4EHTR7GPBAR1
SCHEMBL825254 0.73 SOD3 (0.41) SOD3KDM4EALDH1A1CYP1A2LMNA
SCHEMBL11785110 0.73 SLC6A4 (0.56) HTR1ASLC6A4KDM4EHTR3EUSP2
SCHEMBL825333 0.71 SOD3 (0.40) SOD3KDM4ESIGMAR1LMNAGNAI3
SCHEMBL28407233 0.71 SLC2A1 (0.41) SLC2A1SOD3KDM4EHTR3ASIGMAR1
SCHEMBL5595285 0.71 ALDH1A1 (0.53) HTR1ASLC6A4KDM4EHTR3EUSP2
SCHEMBL29756443 0.70 CYP3A4 (0.55) HTR1ASLC6A4KDM4EHTR3EUSP2
SCHEMBL2170401 0.70 CYP3A4 (0.55) HTR1ASLC6A4KDM4EHTR3EUSP2

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
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
WO-2011157673-A1 ACCELERATOR SOLUTION AND PROCESS FOR CURING CURABLE RESINS AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2011-12-22 WO disclosed