SCHEMBL5794437

SCHEMBL5794437

C[C@H](N)C(=O)N[C@H]1CC(c2ccccc2)=C[C@H](c2ccccc2)N(C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 17/20 0.43
TAAR1 Q96RJ0 1/20 0.37
KIF11 P52732 2/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL5793470 1.00 XIAP (0.43) XIAPTAAR1KIF11KCNH2
SCHEMBL5794434 0.83 KDM1A (0.44) KIF11KCNH2
SCHEMBL5793469 0.83 KDM1A (0.44) KIF11KCNH2
SCHEMBL4843496 0.79 PSEN1 (0.49)
SCHEMBL4833355 0.79 PSEN1 (0.49)
SCHEMBL4841673 0.79 PSEN1 (0.49)
SCHEMBL4834200 0.79 PSEN1 (0.49)
SCHEMBL5793583 0.79 XIAP (0.47) XIAPTAAR1KCNH2
SCHEMBL5791890 0.79 XIAP (0.43) XIAPTAAR1
SCHEMBL4841305 0.78 PSEN1 (0.53)

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