SCHEMBL5793469

SCHEMBL5793469

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.44
HSD17B2 P37059 4/20 0.33
KIF11 P52732 2/20 0.32
HTRA1 Q92743 1/20 0.32
KCNH2 Q12809 1/20 0.32
OPRK1 P41145 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN3A Q9NY46 1/20 0.32
F2 P00734 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5794434 1.00 KDM1A (0.44) KDM1AHSD17B2KIF11HTRA1KCNH2
SCHEMBL5794437 0.83 XIAP (0.43) KIF11KCNH2
SCHEMBL5793470 0.83 XIAP (0.43) KIF11KCNH2
SCHEMBL5793580 0.79 KDM1A (0.41) KDM1AKCNH2MEN1KMT2ASCN3A
SCHEMBL5791886 0.79 KDM1A (0.47) KDM1AHTRA1KCNH2OPRK1SCN3A
SCHEMBL5794093 0.77 KDM1A (0.45) KDM1AHTRA1MEN1KMT2ASCN3A
SCHEMBL5794664 0.77 KDM1A (0.45) KDM1AHTRA1MEN1KMT2ASCN3A
SCHEMBL4834200 0.73 PSEN1 (0.49) HSD17B2
SCHEMBL4843496 0.73 PSEN1 (0.49) HSD17B2
SCHEMBL4841673 0.73 PSEN1 (0.49) HSD17B2

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