SCHEMBL13295367

SCHEMBL13295367

CNC(=O)OCCC1CCCCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
FDPS P14324 2/20 0.41
CYP2D6 P10635 3/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRNA7 P36544 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
APEX1 P27695 1/20 0.38
EPHX1 P07099 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6050108 0.82 FDPS (0.44) FDPSCYP2D6CHRM2CHRM4CHRM5
SCHEMBL9345089 0.82 FDPS (0.46) FDPSCYP2D6CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL7423281 0.81 FDPS (0.42) FDPSCYP2D6CHRM2CHRM4CHRM5
SCHEMBL28091183 0.79 FDPS (0.44) FDPSCYP2D6CHRM2CHRM4CHRM5
SCHEMBL27774215 0.78 FDPS (0.41) FDPSCYP2D6CHRM2CHRM4CHRM5
SCHEMBL27638711 0.78 FDPS (0.41) FDPSCYP2D6CHRM2CHRM4CHRM5
SCHEMBL23870929 0.77 FDPS (0.43) FDPSCYP2D6CHRM2CHRM4CHRM5
SCHEMBL26785171 0.76 FDPS (0.45) FDPSCYP2D6CHRM2CHRM4CHRM5
SCHEMBL23871120 0.76 FDPS (0.39) FDPSCYP2D6CHRM2CHRM4CHRM5
SCHEMBL29028812 0.76 THRB (0.39) FDPSCYP2D6CHRM2CHRM4CHRM5

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-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US disclosed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US disclosed
US-7301025-B2 N-(2-(2-(alkyl[carbamoyl, carbonyloxy or ureido]alkyl)pyridinium)-5-(carboxy or sulfo)phenyl-8-((2-(N-alkyl[carbamoyl or ureido]alkyl)pyridinyl) xanthene ligands complexed with a metal or metal-containing moiety; magenta dye with improved heat resistance; hot melts or phase change inks XEROX CORPORATION (US) 2007-11-27 US disclosed
US-7176317-B2 Colorant compounds XEROX CORPORATION (US) 2007-02-13 US disclosed