SCHEMBL1728987

SCHEMBL1728987

N#Cc1cccnc1N1CCC(CN(CC(N)=O)C(=O)O)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
RECQL P46063 1/20 0.61
LDHA P00338 1/20 0.46
MALT1 Q9UDY8 1/20 0.44
HSD11B1 P28845 2/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HDAC2 Q92769 1/20 0.43
ACKR3 P25106 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 2/20 0.42
DRD4 P21917 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PANK3 Q9H999 1/20 0.41
MAPT P10636 1/20 0.40
GRM1 Q13255 2/20 0.40

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
SCHEMBL1727885 0.84 KDM4E (0.41) KDM4ERECQLMALT1DRD2HTR2A
SCHEMBL1727856 0.84 KMT2A (0.40) KDM4ERECQLMALT1HTR2AALDH1A1
SCHEMBL1730244 0.81 FFAR4 (0.40) KDM4ERECQLDRD2MAPT
SCHEMBL13622633 0.79 KDM4E (0.66) KDM4ERECQLLDHAMALT1HSD11B1
SCHEMBL1729679 0.76 CHRM4 (0.48) PANK3
SCHEMBL1727869 0.76 KDM4E (0.62) KDM4ERECQLLDHAMALT1HSD11B1
SCHEMBL3110161 0.75 KDM4E (0.79) KDM4ERECQLLDHAMALT1HSD11B1
SCHEMBL1729231 0.75 KDM4E (0.40) KDM4ERECQLMALT1DRD2ALDH1A1
SCHEMBL1727887 0.74 KDM4E (0.60) KDM4ERECQLLDHAMALT1HSD11B1
SCHEMBL1727905 0.74 KMT2A (0.39) KDM4ERECQLMALT1ALDH1A1MAPT

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