SCHEMBL6860972

SCHEMBL6860972

O=[N+]([O-])c1ccc(C2CNCCCN2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ADRB1 P08588 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
SLC6A3 Q01959 1/20 0.40
RECQL P46063 1/20 0.39
CRYZ Q08257 1/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC18A3 Q16572 1/20 0.36

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
SCHEMBL1639080 0.90 LMNA (0.43) LMNAADRB1SIRT6ALDH1A1POLB
SCHEMBL9786136 0.90 LMNA (0.43) LMNAADRB1SIRT6ALDH1A1POLB
SCHEMBL8127951 0.89 ADRB1 (0.45) LMNAADRB1SIRT6ALDH1A1POLB
SCHEMBL8133139 0.89 ADRB1 (0.45) LMNAADRB1SIRT6ALDH1A1POLB
Oxalic Acid SCHEMBL522460 0.84 ALDH1A1 (0.41) LMNAADRB1SIRT6ALDH1A1POLB
SCHEMBL10922465 0.83 LMNA (0.50) LMNAALDH1A1POLBRECQLCRYZ
SCHEMBL25230818 0.82 LMNA (0.44) LMNAADRB1SIRT6ALDH1A1POLB
SCHEMBL29116544 0.82 LMNA (0.44) LMNAADRB1SIRT6ALDH1A1POLB
SCHEMBL11631660 0.81 SLC6A3 (0.47) LMNAALDH1A1POLBSLC6A3RECQL
Pyridine SCHEMBL28226947 0.80 LMNA (0.37) LMNAADRB1SIRT6ALDH1A1POLB

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
US-6825189-B1 TREATING WITHDRAWAL SYMPTOMS CAUSED BY SMOKING CESSATION NEUROSEARCH A/S (DK) 2004-11-30 US claimed