SCHEMBL1729927

SCHEMBL1729927

NC(=O)CN(C(=O)O)C1CCN(c2ncccc2-c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.40
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 2/20 0.39
MALT1 Q9UDY8 1/20 0.39
P2RX7 Q99572 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADRB3 P13945 1/20 0.38
LRRK2 Q5S007 1/20 0.38
RBP4 P02753 1/20 0.37
TTR P02766 1/20 0.37
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 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
SCHEMBL1730021 0.92 HTR1A (0.41) KDM4ERECQLKMT2AHTR1ADRD2
SCHEMBL1727621 0.84 KMT2A (0.42) KDM4ERECQLKMT2AMALT1ALDH1A1
SCHEMBL1727885 0.83 KDM4E (0.41) KDM4ERECQLKMT2AHTR1ADRD2
SCHEMBL1729231 0.81 KDM4E (0.40) KDM4ERECQLKMT2AHTR1ADRD2
SCHEMBL1728878 0.77 AOC3 (0.46) KDM4EHTR1AAURKAKDRAURKB
SCHEMBL1730244 0.76 FFAR4 (0.40) KDM4ERECQLKMT2AHTR1ADRD2
SCHEMBL1730282 0.75 CNR1 (0.43) HTR1ADRD2HTR7PIM1
SCHEMBL1728840 0.74 HTR1A (0.39) KDM4ERECQLKMT2AHTR1ADRD2
SCHEMBL3269143 0.74 CKS1B (0.42) KDM4ERECQLKMT2AHTR1ADRD2
SCHEMBL1727561 0.73 KMT2A (0.48) KDM4ERECQLKMT2AMALT1P2RX7

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