SCHEMBL1730282

SCHEMBL1730282

NC(=O)CN(C(=O)O)C1CCN(c2cccc(-c3ccccc3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.43
PKM P14618 1/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
PIM2 Q9P1W9 2/20 0.39
AOC3 Q16853 1/20 0.39
PIM1 P11309 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
COMT P21964 1/20 0.38
NEK2 P51955 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 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
SCHEMBL1729052 0.92 NPC1 (0.43) CNR1ITGB3ITGA2BAOC3HTR1A
SCHEMBL1727919 0.84 GRIN2D (0.37) AOC3TDP1DRD2DRD3CHRM2
SCHEMBL1727912 0.83 CNR1 (0.42) CNR1PKMPIM2AOC3PIM1
SCHEMBL1727572 0.81 CNR1 (0.41) CNR1PKMPIM2AOC3PIM1
SCHEMBL27629097 0.80 CNR1 (0.47) CNR1PIM2PIM1TDP1FFAR4
SCHEMBL1728878 0.80 AOC3 (0.46) AOC3HTR1ADRD4HTR2ADRD3
SCHEMBL1710989 0.77 CNR1 (0.47) CNR1PIM2PIM1FFAR4
SCHEMBL1729255 0.75 HTR1A (0.43) CNR1AOC3HTR1ADRD2DRD4
SCHEMBL1729927 0.75 KDM4E (0.42) PIM1HTR1ADRD2HTR7
SCHEMBL14797064 0.75 ITGB3 (0.40) CNR1PKMITGB3ITGA2BTDP1

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
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed