SCHEMBL1729231

SCHEMBL1729231

NC(=O)CN(CCC1CCN(c2ncccc2-c2ccccc2)CC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
LRRK2 Q5S007 1/20 0.39
RBP4 P02753 1/20 0.39
TTR P02766 1/20 0.39
AOC3 Q16853 1/20 0.39
P2RX7 Q99572 1/20 0.39
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
CHRM4 P08173 1/20 0.37
HTR1A P08908 2/20 0.37
DRD2 P14416 2/20 0.37
HTR7 P34969 2/20 0.37
HTR6 P50406 2/20 0.37
MALT1 Q9UDY8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL1728840 0.92 HTR1A (0.39) KDM4ERECQLRBP4TTRP2RX7
SCHEMBL1727885 0.90 KDM4E (0.41) KDM4ERECQLLRRK2RBP4TTR
SCHEMBL1727905 0.86 KMT2A (0.39) KDM4ERECQLRBP4TTRAOC3
SCHEMBL1729384 0.83 DPP4 (0.44) DRD2MALT1
SCHEMBL1730244 0.82 FFAR4 (0.40) KDM4ERECQLRBP4TTRP2RX7
SCHEMBL1729927 0.81 KDM4E (0.42) KDM4ERECQLLRRK2RBP4TTR
SCHEMBL1728042 0.80 RXRA (0.46) AOC3CHRM4MCHR1
SCHEMBL1727652 0.77 SCD (0.42) KMT2A
SCHEMBL1727572 0.77 CNR1 (0.41) AOC3FFAR4HTR1ADRD2HTR7
SCHEMBL1730153 0.77 CHRM4 (0.52) LRRK2RBP4TTRP2RX7CHRM4

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