SCHEMBL825294

SCHEMBL825294

CCN1CCNCC[N+](Cc2ccc3ccccc3n2)(Cc2ccc3ccccc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
CYP3A4 P08684 3/20 0.43
CYP1A2 P05177 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SLC6A4 P31645 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
USP2 O75604 1/20 0.43
HTR3B O95264 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR7 P34969 1/20 0.43
HTT P42858 1/20 0.43
HTR3A P46098 1/20 0.43
HTR6 P50406 1/20 0.43
PMP22 Q01453 1/20 0.43
HTR3D Q70Z44 1/20 0.43

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
SCHEMBL825220 0.87 SLC2A1 (0.40) CYP3A4CYP1A2KDM4EHSD17B10SLC6A4
SCHEMBL825198 0.85 KDM4E (0.45) HRH3CYP3A4CYP1A2KDM4EHSD17B10
SCHEMBL1968824 0.81 HRH3 (0.55) HRH3CYP3A4CYP1A2KDM4EHSD17B10
SCHEMBL29756443 0.75 CYP3A4 (0.55) CYP3A4CYP1A2KDM4EHSD17B10SLC6A4
SCHEMBL2170401 0.75 CYP3A4 (0.55) CYP3A4CYP1A2KDM4EHSD17B10SLC6A4
SCHEMBL3917010 0.74 CXCR4 (0.57) CYP3A4CYP1A2KDM4EHSD17B10SLC6A4
Quinoline SCHEMBL28259212 0.72 ALDH1A1 (0.52) HRH3CYP3A4CYP1A2KDM4EHSD17B10
SCHEMBL11785110 0.72 SLC6A4 (0.56) CYP3A4CYP1A2KDM4EHSD17B10SLC6A4
SCHEMBL1331766 0.72 HRH3 (0.63) HRH3CYP1A2HTR1AHTR7CYP2D6
SCHEMBL6583960 0.70 CXCR4 (0.65) HRH3CYP3A4CYP1A2KDM4EHSD17B10

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