SCHEMBL3146052

SCHEMBL3146052

N#Cc1ccc(-c2cncc(OCC3(CNC(=O)O)CC3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 7/20 0.43
XDH P47989 1/20 0.43
FLT1 P17948 1/20 0.42
EGLN3 Q9H6Z9 1/20 0.42
KCNH2 Q12809 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
AKT1 P31749 1/20 0.40
MMP2 P08253 1/20 0.39
PORCN Q9H237 1/20 0.39
MMP3 P08254 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
PTGDR Q13258 1/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL3137106 0.89 EGLN1 (0.44) EGLN1CHRNB2CHRNA4
SCHEMBL3155830 0.86 SCN10A (0.42) EGLN1XDHEGLN3SCN10AMKNK1
SCHEMBL3146031 0.85 MKNK1 (0.50) XDHKDM1AHDAC1MKNK1MKNK2
SCHEMBL3150643 0.84 MKNK1 (0.41) EGLN1XDHKDM1AHDAC1AKT1
SCHEMBL3138314 0.84 EGLN1 (0.46) EGLN1KCNH2KDM1AAKT1CHRNB2
SCHEMBL3141819 0.84 EGLN1 (0.48) EGLN1KCNH2KDM1AAKT1
SCHEMBL3150661 0.81 CYP11B2 (0.35) XDHSCN10AAKT1MKNK1MKNK2
SCHEMBL3137063 0.80 XDH (0.43) EGLN1XDHMKNK1MKNK2CHRNB2
SCHEMBL3780254 0.79 XDH (0.40) EGLN1XDHFLT1EGLN3KCNH2
SCHEMBL3151913 0.79 MKNK1 (0.43) MKNK1MKNK2HPGD

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