SCHEMBL8313474

SCHEMBL8313474

CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)CC=C[C@@H]1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.38
KCNA3 P22001 1/20 0.38
MEN1 O00255 2/20 0.38
BRD9 Q9H8M2 1/20 0.37
EPHX2 P34913 1/20 0.37
SCN9A Q15858 2/20 0.37
DRD2 P14416 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
ACHE P22303 1/20 0.35
CCR5 P51681 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
SCHEMBL8314605 1.00 KDM1A (0.42) KDM1AMAOBNFKB1NFKB2RELA
SCHEMBL4838300 0.84 HDAC4 (0.40) KMT2AMEN1EPHX2
SCHEMBL8319502 0.82 NAAA (0.44) GAA
SCHEMBL8319626 0.82 NAAA (0.44) GAA
SCHEMBL16591458 0.76 KDM1A (0.51) KDM1AMAOBNFKB1NFKB2RELA
SCHEMBL16591460 0.76 KDM1A (0.51) KDM1AMAOBNFKB1NFKB2RELA
SCHEMBL12494850 0.74 KMT2A (0.40) KDM1AMAOBNFKB1NFKB2RELA
SCHEMBL12494852 0.74 KMT2A (0.40) KDM1AMAOBNFKB1NFKB2RELA
SCHEMBL5791886 0.74 KDM1A (0.47) KDM1AEPHX2
SCHEMBL16591457 0.73 KDM1A (0.47) KDM1AMAOBNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 US disclosed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO disclosed