SCHEMBL4657601

SCHEMBL4657601

CN1C(=O)C(NC(=O)C(NC(=O)O)c2ccccc2)C(c2ccccc2)OC[C@@H]1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.40
MME P08473 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
CCKBR P32239 1/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 3/20 0.36
CYP3A4 P08684 2/20 0.36
SLC15A2 Q16348 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
BLM P54132 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL3346941 1.00 ACE (0.40) ACEMMEKMT2AMEN1CCKBR
SCHEMBL3343313 0.86 HSD17B10 (0.50) ACEMMEKMT2AMEN1LMNA
SCHEMBL3346896 0.86 HSD17B10 (0.50) ACEMMEKMT2AMEN1LMNA
SCHEMBL6211227 0.85 PSEN1 (0.45) ACEMME
SCHEMBL3343191 0.85 PSEN1 (0.45) ACEMME
SCHEMBL3343004 0.78 ACE (0.38) ACEMMEKMT2AALDH1A1MAPT
SCHEMBL3346831 0.75 PSEN1 (0.56)
SCHEMBL8342122 0.75 PSEN1 (0.56)
SCHEMBL3343067 0.72 ACE (0.50) ACEMMEKMT2AMEN1CCKBR
SCHEMBL6092898 0.72 ACE (0.42) ACEMMEKMT2AMEN1CCKBR

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-1996202-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007104933-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 WO disclosed