SCHEMBL14007448

SCHEMBL14007448

CCCN(C)CCCN(C)CCCN(C)CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
KDM5A P29375 4/20 0.40
KDM4C Q9H3R0 4/20 0.40
SIGMAR1 Q99720 1/20 0.39
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CHRM2 P08172 1/20 0.35
GGPS1 O95749 1/20 0.34
FDPS P14324 1/20 0.34
AGTR1 P30556 1/20 0.34
OPRM1 P35372 1/20 0.34
PDE3A Q14432 1/20 0.34
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL440570 0.92
SCHEMBL12232836 0.89 MAPT (0.45) MAPTKDM5AKDM4CSIGMAR1S1PR2
Hydrochloric Acid SCHEMBL27829624 0.89
SCHEMBL7849316 0.89 MAPT (0.50) MAPTSIGMAR1S1PR2S1PR1S1PR3
SCHEMBL1404135 0.86
SCHEMBL441881 0.86
SCHEMBL23945948 0.86 SIGMAR1 (0.46) MAPTKDM5AKDM4CSIGMAR1S1PR2
SCHEMBL735154 0.84 S1PR2 (0.52) KDM5AKDM4CS1PR2S1PR1S1PR3
Dimethylamine SCHEMBL14975983 0.84 MAPT (0.41) MAPTKDM5AKDM4CSIGMAR1S1PR2
SCHEMBL15790830 0.84 MAPT (0.41) MAPTKDM5AKDM4CS1PR2S1PR1

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
US-9944836-B2 Amine composition EVONIK DEGUSSA GMBH (DE) 2018-04-17 US disclosed
US-20150368531-A1 Amine Composition AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-12-24 US disclosed
US-9133306-B2 Amine composition AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-09-15 US disclosed
US-20080275191-A1 polyamines used as curing agents and as polymerization catalysts or chain extenders in urethane applications AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-11-06 US disclosed