SCHEMBL1728165

SCHEMBL1728165

CNC(CN(CC=O)C(=O)O)C1CCN(c2ccc3ccccc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HRH3 Q9Y5N1 6/20 0.43
PDE10A Q9Y233 5/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CYP1A2 P05177 1/20 0.40
THPO P40225 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 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
SCHEMBL1729370 0.89 HRH3 (0.43) KDM4EALDH1A1HRH3PDE10AHTR3E
SCHEMBL1730195 0.89 HCAR2 (0.46) ALDH1A1HTR3AHRH4HCAR2SMN1; SMN2
SCHEMBL1728881 0.88 HCAR2 (0.36) KDM4EALDH1A1PDE10AHCAR2
SCHEMBL1727892 0.87 HTR1A (0.39) KDM4EALDH1A1HRH3HTR3AHCAR2
SCHEMBL1727648 0.87 MAPT (0.34) KDM4EALDH1A1PDE10AHTR3AHPGD
SCHEMBL1729308 0.87 HRH3 (0.44) HRH3PDE10AHTR3EHTR3BHTR3A
SCHEMBL1727901 0.86 SETDB1 (0.38) KDM4EALDH1A1HSD17B10HRH3HCAR2
SCHEMBL1728927 0.86 HRH3 (0.47) KDM4EALDH1A1HSD17B10HRH3HPGD
SCHEMBL1729592 0.85 PTGES (0.42) PDE10APDE2A
SCHEMBL1727957 0.85 KDM4E (0.45) KDM4EALDH1A1CYP3A4HSD17B10HRH3

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