SCHEMBL4433804

SCHEMBL4433804

O=[N+]([O-])c1ccc(N2CCC(C3CCNCC3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.71
ADRB1 P08588 1/20 0.71
MAPT P10636 6/20 0.57
POLB P06746 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HRH3 Q9Y5N1 1/20 0.50
HTR1A P08908 1/20 0.50
HTR7 P34969 1/20 0.50
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL25845543 0.84 MAPT (0.70) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL27292767 0.84 SIRT6 (0.66) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL25845752 0.84 SIRT6 (0.66) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL7526992 0.84 SIRT6 (1.00) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL336262 0.84 SIRT6 (1.00) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL16206952 0.82 SIRT6 (0.72) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL29986031 0.82 MEN1 (0.71) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL6152151 0.82 SIRT6 (0.96) SIRT6ADRB1MAPTPOLBALDH1A1
Hydrochloric Acid SCHEMBL1814630 0.82 SIRT6 (0.96) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL6151805 0.82 SIRT6 (0.96) SIRT6ADRB1MAPTPOLBALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121661-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2009-11-25 EP disclosed
WO-2008085316-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-07-17 WO disclosed