SCHEMBL5489486

SCHEMBL5489486

NCC=CCc1cccc(CC=CCN)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
LOXL2 Q9Y4K0 2/20 0.40
SLC11A2 P49281 1/20 0.38
AOC3 Q16853 1/20 0.38
PNMT P11086 1/20 0.37
ENPP2 Q13822 1/20 0.37
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 1/20 0.35
TAAR1 Q96RJ0 5/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL6280201 0.83 MAOB (0.75) MAOBLOXL2AOC3TAAR1CA1
SCHEMBL1436 0.83 MAOB (0.75) MAOBLOXL2AOC3TAAR1CA1
Hydrochloric Acid SCHEMBL5137799 0.81 MAOB (0.71) MAOBLOXL2AOC3TAAR1CA1
Water SCHEMBL3478300 0.81 MAOB (0.71) MAOBLOXL2AOC3TAAR1CA1
SCHEMBL9288720 0.78 MAOB (0.46) MAOBLOXL2SLC11A2NOS3NOS1
SCHEMBL795584 0.77 MAOB (0.65) MAOBLOXL2AOC3TAAR1CA1
SCHEMBL28225212 0.74 PNMT (0.45) MAOBLOXL2PNMTENPP2NOS3
SCHEMBL27806836 0.74 ENPP2 (0.50) MAOBLOXL2SLC11A2PNMTENPP2
SCHEMBL28756729 0.74 PNMT (0.45) MAOBLOXL2PNMTENPP2NOS3
SCHEMBL11683135 0.73 MAOB (0.46) MAOBLOXL2SLC11A2PNMTNOS3

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
JP-2007211060-A SUPERMOLECULE POLYMER AND ITS SYNTHETIC METHOD JAPAN ADVANCED INSTITUTE OF SCIENCE & TECHNOLOGY HOKURIKU 2007-08-23 JP disclosed