SCHEMBL1730265

SCHEMBL1730265

O=C(O)NCCC1CCN(c2nccc3ccc(Cl)cc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM4 P08173 8/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
PDE10A Q9Y233 3/20 0.41
CXCR3 P49682 1/20 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
SCHEMBL1727743 0.92 SIRT2 (0.50) SIRT2SIRT1SIRT3CYP1A2CYP2D6
SCHEMBL1729130 0.85 ENPP1 (0.51) SIRT2SIRT1SIRT3CHRM4MAOA
SCHEMBL1728813 0.84 SIRT2 (0.51) SIRT2SIRT1SIRT3CHRM4
SCHEMBL3266982 0.83 SIRT2 (0.45) SIRT2SIRT1SIRT3CYP1A2CYP2D6
SCHEMBL1727950 0.81 SIRT2 (0.50) SIRT2SIRT1SIRT3CHRM4PDE10A
SCHEMBL1730076 0.79 CHRM4 (0.46) CHRM4MAOAMAOBCHRM1
SCHEMBL1728435 0.78 SIRT2 (0.50) SIRT2SIRT1SIRT3CHRM4MAOA
SCHEMBL1727406 0.78 HCAR2 (0.47) SIRT2SIRT1SIRT3CHRM4
SCHEMBL1728774 0.78 HRH3 (0.55) CYP1A2CYP2D6CHRM4MAOAMAOB
SCHEMBL1729450 0.78 CYP1A2 (0.39) SIRT2SIRT1SIRT3CYP1A2CYP2D6

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