SCHEMBL5791886

SCHEMBL5791886

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.47
HDAC4 P56524 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
OPRK1 P41145 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
KCNH2 Q12809 1/20 0.33
LIPE Q05469 1/20 0.32
HTRA1 Q92743 1/20 0.32
CHRM1 P11229 1/20 0.32
PRCP P42785 1/20 0.31
SCN3A Q9NY46 1/20 0.31
EPHX2 P34913 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
SCHEMBL5791890 0.81 XIAP (0.43) HDAC4SMN1; SMN2
SCHEMBL4838300 0.80 HDAC4 (0.40) HDAC4SMN1; SMN2EPHX2
SCHEMBL5793469 0.79 KDM1A (0.44) KDM1AOPRK1KCNH2HTRA1SCN3A
SCHEMBL5794434 0.79 KDM1A (0.44) KDM1AOPRK1KCNH2HTRA1SCN3A
SCHEMBL5792160 0.79 KDM1A (0.46) KDM1ASMN1; SMN2OPRK1
SCHEMBL5821182 0.79 KDM1A (0.46) KDM1ASMN1; SMN2OPRK1
SCHEMBL5793810 0.77 KDM1A (0.47) KDM1AHDAC4SMN1; SMN2OPRK1EPHX2
SCHEMBL5793048 0.77 KDM1A (0.47) KDM1AHDAC4SMN1; SMN2OPRK1EPHX2
SCHEMBL5794455 0.75 KDM1A (0.48) KDM1AHDAC4HRH3KCNH2LIPE
SCHEMBL8314605 0.74 KDM1A (0.42) KDM1AEPHX2

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