SCHEMBL1728989

SCHEMBL1728989

NC(=O)CN(CCC1CCN(c2nccc3cc(F)ccc23)CC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
PDE10A Q9Y233 2/20 0.39
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
GPR6 P46095 9/20 0.37
AOC3 Q16853 3/20 0.35
ACHE P22303 3/20 0.34
RBP4 P02753 1/20 0.33
TTR P02766 1/20 0.33

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
SCHEMBL1729857 0.88 GPR6 (0.39) SIRT2SIRT1SIRT3PDE10ADPP4
SCHEMBL1729384 0.86 DPP4 (0.44) SIRT2SIRT1SIRT3PDE10ADPP4
SCHEMBL1728948 0.86 ENPP1 (0.43) SIRT2SIRT1SIRT3GPR6AOC3
SCHEMBL1728840 0.80 HTR1A (0.39) ACHERBP4TTR
SCHEMBL239086 0.78 PDE10A (0.47) SIRT2SIRT1SIRT3PDE10ADPP4
SCHEMBL1727950 0.78 SIRT2 (0.50) SIRT2SIRT1SIRT3PDE10AGPR6
SCHEMBL1727905 0.77 KMT2A (0.39) SIRT2SIRT1SIRT3AOC3RBP4
SCHEMBL1727605 0.77 DGAT1 (0.44) AOC3
SCHEMBL238082 0.76 SIRT2 (0.49) SIRT2SIRT1SIRT3GPR6AOC3
SCHEMBL1729231 0.76 KDM4E (0.40) AOC3RBP4TTR

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