SCHEMBL3260280

SCHEMBL3260280

CN(C(=O)O)C1(COc2cncc(-c3ccc([N+](=O)[O-])cc3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNB3 Q05901 1/20 0.39
THRB P10828 1/20 0.39
PTPN11 Q06124 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CXCR1 P25024 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
GAA P10253 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL3137093 0.89 CHRNB2 (0.52) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3772192 0.86 CHRNB2 (0.43) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3770622 0.85 CHRNB1 (0.36) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3150649 0.84 XDH (0.37) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3142740 0.84 THRB (0.38) THRBPTPN11BCHEACHECXCR1
SCHEMBL3142660 0.83 MKNK1 (0.36) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3151256 0.83 FFAR4 (0.38) CHRNB4CHRNA3THRBPTPN11BCHE
SCHEMBL3770619 0.80 CHRNB1 (0.36) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3142717 0.79 AKT1 (0.42) CYP19A1MKNK1MKNK2ALDH1A1LMNA
SCHEMBL3151919 0.79 CYP11B1 (0.42) CYP11B1CYP11B2MKNK1MKNK2LMNA

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-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