SCHEMBL3137115

SCHEMBL3137115

CNC1(COc2cnc(Cl)c(-c3ccc(C(=O)O)cc3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.41
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MAP4K4 O95819 2/20 0.38
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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 SCHEMBL3138455 0.99 FFAR4 (0.40) FFAR4CHRNB4CHRNA3CHRNA7HCRTR1
Hydrochloric Acid SCHEMBL3781588 0.87 HCRTR1 (0.38) HCRTR1HCRTR2MAP4K4
SCHEMBL3141396 0.86 CHRNB4 (0.41) FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3155954 0.86 FFAR4 (0.40) FFAR4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL3785719 0.86 HCRTR1 (0.38) HCRTR1HCRTR2MAP4K4
SCHEMBL3146643 0.85 CHRNB4 (0.40) FFAR4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL3770801 0.85 CHRNB4 (0.40) FFAR4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL3843131 0.84 CHRNB4 (0.40) FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3150978 0.83 MAP2K7 (0.40) FFAR4CHRNB4CHRNA3CHRNA7NPC1
Hydrochloric Acid SCHEMBL3138447 0.83 CHRNB4 (0.40) FFAR4CHRNB4CHRNA3CHRNA7

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