SCHEMBL7208200

SCHEMBL7208200

N#[N+]CC(N)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 5/20 0.45
DPP4 P27487 2/20 0.44
F2 P00734 1/20 0.44
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
HTR2A P28223 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
GBA1 P04062 1/20 0.39

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
SCHEMBL2781359 0.72 DPP4 (0.55) SCN4ADPP4F2GRIN2DGRIN3B
SCHEMBL6859196 0.72 DPP4 (0.55) SCN4ADPP4F2GRIN2DGRIN3B
SCHEMBL2781356 0.72 DPP4 (0.55) SCN4ADPP4F2GRIN2DGRIN3B
SCHEMBL2521653 0.72 DPP4 (0.55) SCN4ADPP4F2GRIN2DGRIN3B
SCHEMBL6859189 0.72 DPP4 (0.55) SCN4ADPP4F2GRIN2DGRIN3B
SCHEMBL16367913 0.72 DPP4 (0.55) SCN4ADPP4F2GRIN2DGRIN3B
SCHEMBL2784864 0.72 DPP4 (0.55) SCN4ADPP4F2GRIN2DGRIN3B
SCHEMBL1952916 0.70 TAAR1 (0.62) SCN4ADPP4F2HTR2ATAAR1
SCHEMBL507195 0.70 TAAR1 (0.62) SCN4ADPP4F2HTR2ATAAR1
SCHEMBL507194 0.70 TAAR1 (0.62) SCN4ADPP4F2HTR2ATAAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608213-B1 Fluorescence-labeled probe for DNA and a fluorescence-labeled plasmid TOKYO INSTITUTE OF TECHNOLOGY (JP) 2003-08-19 US disclosed