SCHEMBL3141909

SCHEMBL3141909

O=C(O)NCC1(COc2cncc(-c3cccc(Cl)c3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
VEGFA P15692 3/20 0.41
FLT1 P17948 3/20 0.41
EGLN1 Q9GZT9 3/20 0.41
EGLN3 Q9H6Z9 3/20 0.41
TET3 O43151 1/20 0.41
BBOX1 O75936 1/20 0.41
ASPH Q12797 1/20 0.41
TET2 Q6N021 1/20 0.41
KDM8 Q8N371 1/20 0.41
OGFOD1 Q8N543 1/20 0.41
TET1 Q8NFU7 1/20 0.41
HIF1AN Q9NWT6 1/20 0.41
KDR P35968 2/20 0.38
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DCLK1 O15075 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
SCHEMBL3150661 0.89 CYP11B2 (0.35) XDHSLC22A12GSK3BMKNK2AKT1
SCHEMBL3137063 0.88 XDH (0.43) XDHSLC22A12EGLN1GSK3BMKNK2
SCHEMBL3155830 0.88 SCN10A (0.42) XDHSLC22A12EGLN1EGLN3MKNK2
SCHEMBL3151913 0.88 MKNK1 (0.43) KDRCHEK2GSK3BMKNK2MAPT
SCHEMBL3154853 0.88 CHRNB2 (0.45) AXLCDK7MKNK2AKT1
SCHEMBL3151273 0.86 NR1H4 (0.39) JAK2
SCHEMBL3138280 0.85 CHRNB1 (0.38)
SCHEMBL3137106 0.85 EGLN1 (0.44) EGLN1AXL
SCHEMBL3145805 0.84 AKT1 (0.49) CHEK1CHEK2FGFR1AKT1
SCHEMBL3137105 0.84 CHRNB1 (0.49) MAPT

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