SCHEMBL17082007

SCHEMBL17082007

CC(C)OC(=O)Nc1ccc(N2CCC[C@@]3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 4/20 0.37
RXFP1 Q9HBX9 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 2/20 0.34
ALOX15 P16050 1/20 0.34
NR1I3 Q14994 5/20 0.33
NPY2R P49146 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
TP53 P04637 2/20 0.32
LMNA P02545 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL4572366 1.00 PDE7A (0.39) PDE7AALDH1A1HPGDHSD17B10MEN1
SCHEMBL4572364 0.92 ALDH1A1 (0.42) PDE7AALDH1A1HPGDHSD17B10MEN1
SCHEMBL17082105 0.92 ALDH1A1 (0.42) PDE7AALDH1A1HPGDHSD17B10MEN1
SCHEMBL10263404 0.90 PDE7A (0.37) PDE7AALDH1A1HPGDHSD17B10MEN1
SCHEMBL17082109 0.90 PDE7A (0.37) PDE7AALDH1A1HPGDHSD17B10MEN1
SCHEMBL551017 0.89 KDM4E (0.42) PDE7AALDH1A1HPGDHSD17B10MEN1
SCHEMBL551018 0.89 KDM4E (0.42) PDE7AALDH1A1HPGDHSD17B10MEN1
SCHEMBL4570165 0.89 KDM4E (0.43) PDE7AKDM4ENR1I3AADAT
SCHEMBL2700347 0.89 KDM4E (0.42) PDE7AALDH1A1HPGDHSD17B10MEN1
SCHEMBL551425 0.89 KDM4E (0.42) PDE7AALDH1A1HPGDHSD17B10MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP disclosed