SCHEMBL5762909

SCHEMBL5762909

C[C@H](N)C(=O)N[C@H]1CCC[C@H](c2ccccc2)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XIAP P98170 12/20 0.47
CTSK P43235 2/20 0.38
ALDH1A1 P00352 3/20 0.37
PSMB5 P28074 1/20 0.36
BIRC3 Q13489 1/20 0.36
BIRC2 Q13490 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5762197 1.00 XIAP (0.47) XIAPCTSKALDH1A1PSMB5BIRC3
SCHEMBL3243559 0.83 ALDH1A1 (0.42) ALDH1A1KDM4E
SCHEMBL3823350 0.83 ALDH1A1 (0.42) ALDH1A1KDM4E
SCHEMBL5764228 0.83 XIAP (0.39) XIAPALDH1A1
SCHEMBL5762000 0.83 XIAP (0.39) XIAPALDH1A1
SCHEMBL5764216 0.83 XIAP (0.39) XIAPALDH1A1
SCHEMBL5763995 0.81 NAAA (0.46) XIAPALDH1A1
SCHEMBL5764623 0.81 NAAA (0.46) XIAPALDH1A1
SCHEMBL5762190 0.81 KDM1A (0.49) XIAPBIRC3BIRC2
SCHEMBL5762906 0.81 KDM1A (0.49) XIAPBIRC3BIRC2

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-1636196-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP claimed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO claimed
EP-1636196-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO disclosed