SCHEMBL1728435

SCHEMBL1728435

COc1ccc2c(N3CCC(CCNC(=O)O)CC3)nccc2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
ENPP1 P22413 3/20 0.49
ACHE P22303 7/20 0.48
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
CHRM4 P08173 3/20 0.45
BCHE P06276 4/20 0.44
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
MAPK7 Q13164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL1729130 0.92 ENPP1 (0.51) SIRT2SIRT1SIRT3ENPP1ACHE
SCHEMBL1728789 0.90 ENPP1 (0.46) ENPP1ACHEDRD2DRD4MAPK7
SCHEMBL3265661 0.86 SIRT2 (0.49) SIRT2SIRT1SIRT3ENPP1ACHE
SCHEMBL3269114 0.85 SIRT2 (0.45) SIRT2SIRT1SIRT3ENPP1ACHE
SCHEMBL1727950 0.85 SIRT2 (0.50) SIRT2SIRT1SIRT3CHRM4
SCHEMBL1727743 0.85 SIRT2 (0.50) SIRT2SIRT1SIRT3CHRM4MAOB
SCHEMBL1728813 0.82 SIRT2 (0.51) SIRT2SIRT1SIRT3ACHEDRD2
SCHEMBL1728885 0.80 CHRM4 (0.53) ENPP1ACHECHRM4BCHE
SCHEMBL1728948 0.79 ENPP1 (0.43) SIRT2SIRT1SIRT3ENPP1ACHE
SCHEMBL1729968 0.79 HRH3 (0.58) ENPP1ACHECHRM4BCHEALDH1A1

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