SCHEMBL1729344

SCHEMBL1729344

CNC(CN(CC=O)C(=O)O)C1(F)CCN(c2ccc3ccccc3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 6/20 0.44
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HRH3 Q9Y5N1 5/20 0.39
SORD Q00796 2/20 0.39
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
CYP1A2 P05177 2/20 0.38
HTR3A P46098 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
THPO P40225 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 2/20 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
SCHEMBL1728165 0.80 KDM4E (0.45) KDM4EALDH1A1CYP3A4HSD17B10HRH3
SCHEMBL1727692 0.74 LMNA (0.42) KDM4EALDH1A1CYP3A4HSD17B10CYP1A2
SCHEMBL1727957 0.74 KDM4E (0.45) KDM4EALDH1A1CYP3A4HSD17B10HRH3
SCHEMBL1729341 0.73 KDM4E (0.43) KDM4EALDH1A1CYP3A4HSD17B10HRH3
SCHEMBL1727648 0.71 MAPT (0.34) KDM4EALDH1A1HTR3AHPGDRAB9A
SCHEMBL5779091 0.71 KDM4E (0.50) KDM4EALDH1A1CYP3A4HSD17B10HRH3
SCHEMBL1727715 0.70 KDM4E (0.44) KDM4EALDH1A1CYP3A4HSD17B10HRH3
SCHEMBL1729370 0.69 HRH3 (0.43) KDM4EALDH1A1HRH3HTR3EHTR3B
SCHEMBL26646352 0.69 PDE10A (0.63) KDM4EALDH1A1CYP3A4HSD17B10HRH3
SCHEMBL1730195 0.69 HCAR2 (0.46) ALDH1A1SORDHTR3AHRH4HCAR2

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