SCHEMBL3145803

SCHEMBL3145803

CNC1(COc2cnc(Cl)c(-c3cccc(C(=O)O)c3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DDT P30046 1/20 0.39
PTPN11 Q06124 1/20 0.39
AXL P30530 1/20 0.38
PTGER1 P34995 4/20 0.38
CYP2C9 P11712 2/20 0.38
MAP4K4 O95819 1/20 0.38
CYP3A4 P08684 1/20 0.38
EIF4EBP1 Q13541 1/20 0.37

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 SCHEMBL3767934 0.99 DDT (0.38) DDTPTPN11AXLPTGER1CYP2C9
SCHEMBL3137115 0.89 FFAR4 (0.41) MAP4K4
Hydrochloric Acid SCHEMBL3782911 0.88 DDT (0.39) DDTPTPN11AXLPTGER1EIF4EBP1
SCHEMBL3155954 0.86 FFAR4 (0.40)
Hydrochloric Acid SCHEMBL3151269 0.83 FYN (0.40)
SCHEMBL4761397 0.83 CYP1A2 (0.38) CYP2C9CYP3A4
SCHEMBL3155310 0.82 ABL1 (0.41) CYP3A4
Hydrochloric Acid SCHEMBL3777918 0.81 KMO (0.44)
SCHEMBL3143075 0.81 CHEK2 (0.39) MAP4K4
Hydrochloric Acid SCHEMBL3774096 0.81 FNTA (0.40) DDTAXLPTGER1MAP4K4EIF4EBP1

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 4 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
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