SCHEMBL1727503

SCHEMBL1727503

O=C(O)NCCC1CCN(c2nccc3occc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.56
HTR2A P28223 17/20 0.56
DRD3 P35462 17/20 0.56
HTR2C P28335 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46

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
SCHEMBL3269252 0.84 DRD2 (0.50) DRD2HTR2ADRD3HTR2CSIRT2
SCHEMBL1728813 0.81 SIRT2 (0.51) DRD2HTR2CSIRT2SIRT1SIRT3
SCHEMBL15971750 0.79 HTR2C (0.65) DRD2HTR2ADRD3HTR2C
SCHEMBL1727950 0.77 SIRT2 (0.50) SIRT2SIRT1SIRT3
SCHEMBL1727743 0.77 SIRT2 (0.50) SIRT2SIRT1SIRT3
SCHEMBL1730265 0.77 SIRT2 (0.50) SIRT2SIRT1SIRT3
SCHEMBL1730203 0.77 CHRM4 (0.51) SIRT2SIRT1SIRT3
SCHEMBL1730153 0.75 CHRM4 (0.52) DRD2SIRT2SIRT1SIRT3
SCHEMBL3269249 0.75 HTR2C (0.47) DRD2HTR2ADRD3HTR2C
SCHEMBL1729130 0.75 ENPP1 (0.51) DRD2DRD3HTR2CSIRT2SIRT1

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