SCHEMBL3150837

SCHEMBL3150837

NCC1(COc2cnc(Cl)c(-c3ccc(-c4nn[nH]n4)cc3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
XDH P47989 5/20 0.39
RPA1 P27694 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP19A1 P11511 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ADH5 P11766 1/20 0.37
HPGDS O60760 1/20 0.36
HPGD P15428 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
GRM2 Q14416 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ESR2 Q92731 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
Hydrochloric Acid SCHEMBL3154957 0.99 MAP4K4 (0.43) MAP4K4ALDH1A1TP53XDHRPA1
SCHEMBL3145250 0.91 IDO1 (0.42) MAP4K4ALDH1A1XDHHPGDSMRGPRX4
Hydrochloric Acid SCHEMBL3774366 0.90 IDO1 (0.41) MAP4K4ALDH1A1XDHHPGDSMRGPRX4
SCHEMBL3137247 0.84 XDH (0.39) MAP4K4ALDH1A1TP53XDHL3MBTL1
SCHEMBL3138283 0.82 CHRNB4 (0.40) CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL3768153 0.82 ALDH1A1 (0.41) MAP4K4ALDH1A1TP53XDHRPA1
SCHEMBL3147232 0.81 CHRNB4 (0.39) CHRNB4CHRNA3CHRNA7
SCHEMBL3147247 0.81 CHRNB4 (0.42) CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL3767949 0.81 CHRNB4 (0.39) CHRNB4CHRNA3CHRNA7
SCHEMBL3155946 0.81 FFAR4 (0.41) CHRNB4CHRNA3CHRNA7

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