SCHEMBL3145265

SCHEMBL3145265

NCC1(COc2cncc(-c3ccc(Cl)cc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.47
CHRNB1 P11230 2/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
CHRNB3 Q05901 2/20 0.47
INPPL1 O15357 6/20 0.44
MAP4K4 O95819 1/20 0.40
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
AKT1 P31749 1/20 0.39
CHRNA4 P43681 1/20 0.37
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
BACE1 P56817 1/20 0.36
KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL3146592 0.99 CHRNB2 (0.46) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL3773007 0.99 CHRNB2 (0.46) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3137026 0.88 INPPL1 (0.38) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3137136 0.87 CHRNB2 (0.47) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL3770803 0.87 INPPL1 (0.38) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3147299 0.86 INPPL1 (0.40) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3145422 0.86 INPPL1 (0.43) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL3780020 0.86 CHRNB2 (0.46) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3137051 0.86 CHRNB1 (0.49) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL3768488 0.85 INPPL1 (0.40) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979321-B9 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2010-02-17 EP claimed
EP-1979321-B1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2009-07-29 EP claimed
EP-1979321-A1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2008-10-15 EP claimed
WO-2007085750-A1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2007-08-02 WO claimed
EP-1979321-B9 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2010-02-17 EP disclosed
EP-1979321-B1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2009-07-29 EP disclosed
EP-1979321-A1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2008-10-15 EP disclosed
WO-2007085750-A1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2007-08-02 WO disclosed