SCHEMBL5794479

SCHEMBL5794479

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XIAP P98170 11/20 0.36
PSMB5 P28074 2/20 0.35
PSMB2 P49721 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
HDAC4 P56524 1/20 0.33
CTRB1 P17538 2/20 0.33
KDM1A O60341 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
SCHEMBL5791949 1.00 XIAP (0.36) XIAPPSMB5PSMB2TAAR1SMYD3
SCHEMBL5791943 0.81 KDM1A (0.48) HDAC4KDM1A
SCHEMBL5794477 0.81 KDM1A (0.48) HDAC4KDM1A
SCHEMBL4842034 0.77 PSEN1 (0.46) PSMB5PSMB2
SCHEMBL4833022 0.77 PSEN1 (0.46) PSMB5PSMB2
SCHEMBL4833521 0.77 PSEN1 (0.46) PSMB5PSMB2
SCHEMBL4845722 0.77 PSEN1 (0.46) PSMB5PSMB2
SCHEMBL4842672 0.77 PSEN1 (0.46) PSMB5PSMB2
SCHEMBL4843334 0.76 PSEN1 (0.49) PSMB5
SCHEMBL4834282 0.76 PSEN1 (0.49) PSMB5

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