SCHEMBL825198

SCHEMBL825198

CN1CCNCC[N+](Cc2ccc3ccccc3n2)(Cc2ccc3ccccc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
CYP1A2 P05177 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HTR3A P46098 3/20 0.45
CYP3A4 P08684 3/20 0.45
HTR3E A5X5Y0 2/20 0.45
HTR3B O95264 2/20 0.45
HTR3D Q70Z44 2/20 0.45
HTR3C Q8WXA8 2/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR1A P08908 1/20 0.45
HTR2C P28335 1/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR7 P34969 1/20 0.45
HTT P42858 1/20 0.45
HTR6 P50406 1/20 0.45
PMP22 Q01453 1/20 0.45

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 0.85 HRH3 (0.46) KDM4ECYP1A2ALDH1A1HTR3ACYP3A4
SCHEMBL825220 0.82 SLC2A1 (0.40) KDM4ECYP1A2ALDH1A1HTR3ACYP3A4
SCHEMBL1972333 0.77 FAAH (0.50) KDM4ECYP1A2ALDH1A1HTR3ACYP3A4
SCHEMBL11785110 0.72 SLC6A4 (0.56) KDM4ECYP1A2ALDH1A1HTR3ACYP3A4
SCHEMBL2170401 0.71 CYP3A4 (0.55) KDM4ECYP1A2ALDH1A1HTR3ACYP3A4
SCHEMBL29756443 0.71 CYP3A4 (0.55) KDM4ECYP1A2ALDH1A1HTR3ACYP3A4
SCHEMBL3917010 0.70 CXCR4 (0.57) KDM4ECYP1A2ALDH1A1HTR3ACYP3A4
Quinoline SCHEMBL27801116 0.69 ALDH1A1 (0.57) KDM4ECYP1A2ALDH1A1HTR3ACYP3A4
SCHEMBL825303 0.69 FDPS (0.32)
SCHEMBL11565 0.69 CYP1A2 (0.50) KDM4ECYP1A2ALDH1A1HTR3ACYP3A4

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