SCHEMBL1728232

SCHEMBL1728232

NC(CN(CC=O)C(=O)O)C1CCN(c2ccc3cccc(Cl)c3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.41
PDE10A Q9Y233 3/20 0.40
FAAH O00519 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HTR3A P46098 3/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMO Q99835 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
MEN1 O00255 1/20 0.32
HTR3B O95264 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL1729611 0.87 HTR1A (0.39) HTR3ALMNAHTT
SCHEMBL1729592 0.86 PTGES (0.42) PTGESPDE10AFAAHPDE4APDE4B
SCHEMBL1727957 0.85 KDM4E (0.45) PDE10AHTR3ALMNAHTTHTR3E
SCHEMBL1730418 0.82 HRH3 (0.45) PDE10AHTR3AHTR3EHTR3BHTR3D
SCHEMBL1727545 0.82 GRIN2D (0.36) HTR3AHTR3EMEN1HTR3BCYP1A2
SCHEMBL1727926 0.81 HRH3 (0.46) PDE10AHTR3ALMNAHTR3EHTR3B
SCHEMBL1727570 0.80 CNR1 (0.39)
SCHEMBL1730161 0.80 DEGS1 (0.43) PDE10A
SCHEMBL1730251 0.78 DPP4 (0.42) HTR3A
SCHEMBL1729774 0.77 LMNA (0.36) GAALMNAHTTMEN1TSHR

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