SCHEMBL3151256

SCHEMBL3151256

CN(C(=O)O)C1(COc2cnc(Cl)c(-c3ccc([N+](=O)[O-])cc3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.38
THRB P10828 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PTPN11 Q06124 1/20 0.35
ENPP2 Q13822 3/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CXCR1 P25024 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
SCHEMBL3142740 0.89 THRB (0.38) THRBMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3146681 0.88 CHRNB4 (0.45) FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3147019 0.87 FFAR4 (0.44) FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3147070 0.86 FFAR4 (0.42) FFAR4SMN1; SMN2CHRNB4CHRNA3CHRNA7
SCHEMBL3257000 0.86 FFAR4 (0.42) FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3147054 0.85 FFAR4 (0.38) FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3260280 0.83 CHRNB1 (0.39) THRBLMNAPTPN11CHRNB4CHRNA3
SCHEMBL3151366 0.81 ABL1 (0.40) FFAR4THRB
SCHEMBL3145508 0.81 ALDH1A1 (0.38) FFAR4MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3770372 0.81 FFAR4 (0.35) FFAR4MEN1KMT2ALMNASMN1; SMN2

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