SCHEMBL3260284

SCHEMBL3260284

O=C(O)NCC1(COc2cncc(-c3ccc([N+](=O)[O-])cc3)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNB3 Q05901 1/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.35
CYP2C19 P33261 2/20 0.34
HPGD P15428 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL3260277 1.00 MKNK1 (0.37) MKNK1MKNK2CHRNB1CHRNB2CHRNB4
SCHEMBL3137105 0.89 CHRNB1 (0.49) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3137090 0.89 CHRNB1 (0.49) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3155830 0.85 SCN10A (0.42) MKNK1MKNK2CHRNB1CHRNB2CHRNB4
SCHEMBL3146031 0.84 MKNK1 (0.50) MKNK1MKNK2CHRNB1CHRNB2CHRNB4
SCHEMBL3142732 0.84 THRB (0.36) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL3150643 0.83 MKNK1 (0.41) MKNK1MKNK2CHRNB1CHRNB2CHRNB4
SCHEMBL3151249 0.83 FFAR4 (0.38) CHRNB4CHRNA3MAPTALDH1A1LMNA
SCHEMBL3151266 0.83 FFAR4 (0.38) CHRNB4CHRNA3MAPTALDH1A1LMNA
SCHEMBL3151893 0.83 LMNA (0.41) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3

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