SCHEMBL1728813

SCHEMBL1728813

O=C(O)NCCC1CCN(c2nccc3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.51
▸ SIRT1 Q96EB6 1/20 0.51
▸ SIRT3 Q9NTG7 1/20 0.51
▸ HCAR2 Q8TDS4 1/20 0.49
▸ HRH4 Q9H3N8 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ CHRM4 P08173 5/20 0.48
▸ SORD Q00796 1/20 0.47
▸ MALT1 Q9UDY8 1/20 0.46
▸ DPP4 P27487 1/20 0.46
▸ DPP7 Q9UHL4 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ DRD4 P21917 1/20 0.44

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
SCHEMBL1727406 0.93 HCAR2 (0.47) SIRT2SIRT1SIRT3HCAR2HRH4
SCHEMBL1728699 0.88 HRH4 (0.51) HCAR2HRH4HTR2CSORDMALT1
SCHEMBL1727950 0.84 SIRT2 (0.50) SIRT2SIRT1SIRT3CHRM4
SCHEMBL1730265 0.84 SIRT2 (0.50) SIRT2SIRT1SIRT3CHRM4
SCHEMBL1727743 0.84 SIRT2 (0.50) SIRT2SIRT1SIRT3CHRM4MALT1
SCHEMBL3270079 0.83 SIRT2 (0.49) SIRT2SIRT1SIRT3HCAR2HRH4
SCHEMBL1728435 0.82 SIRT2 (0.50) SIRT2SIRT1SIRT3CHRM4ACHE
SCHEMBL1729130 0.82 ENPP1 (0.51) SIRT2SIRT1SIRT3HTR2CCHRM4
SCHEMBL3268994 0.82 SIRT2 (0.46) SIRT2SIRT1SIRT3HCAR2HRH4
SCHEMBL240127 0.81 SORD (0.57) HCAR2HRH4HTR2CSORDMALT1

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
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