SCHEMBL1728682

SCHEMBL1728682

CNC(CN(CC=O)C(=O)O)C1CCN(c2cccc(C)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.40
HTR1A P08908 2/20 0.39
HTR2A P28223 2/20 0.39
DRD3 P35462 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
TGM2 P21980 5/20 0.36
F13A1 P00488 2/20 0.36
TGM1 P22735 2/20 0.36
TGM3 Q08188 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
SCN9A Q15858 1/20 0.35
KCNH2 Q12809 1/20 0.35
TRPA1 O75762 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35

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
SCHEMBL1727724 0.91 HSD11B1 (0.40) ACACBCKS1BSKP1SKP2
SCHEMBL1727875 0.89 ACACB (0.40) ACACBCKS1BSKP1SKP2
SCHEMBL1728808 0.88 PKM (0.37) ACACBCKS1BSKP1SKP2PDE10A
SCHEMBL1727768 0.87 HRH3 (0.37) ACACBHTR1ACKS1BSKP1SKP2
SCHEMBL1727921 0.85 KDM4E (0.43) HTR1AHTR2ATSHR
SCHEMBL1728165 0.85 KDM4E (0.45) DRD3HTR3EHTR3BHTR3AHTR3D
SCHEMBL1727648 0.83 MAPT (0.34) HTR3APDE10A
SCHEMBL1729592 0.83 PTGES (0.42) PDE10A
SCHEMBL1730195 0.83 HCAR2 (0.46) HTR3ACKS1BSKP1SKP2
SCHEMBL1728881 0.82 HCAR2 (0.36) CKS1BSKP1SKP2PDE10A

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