SCHEMBL5793580

SCHEMBL5793580

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
F2 P00734 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.33
XIAP P98170 1/20 0.33
SCN3A Q9NY46 1/20 0.33
ADAM10 O14672 1/20 0.33
ERBB2 P04626 1/20 0.33
MMP2 P08253 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL5793583 0.81 XIAP (0.47) KCNH2HRH3MEN1KMT2AXIAP
SCHEMBL5794394 0.81 KDM1A (0.41) KDM1AKCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL5794434 0.79 KDM1A (0.44) KDM1AKCNH2ALDH1A1F2MEN1
SCHEMBL5793469 0.79 KDM1A (0.44) KDM1AKCNH2ALDH1A1F2MEN1
SCHEMBL5793603 0.78 KDM1A (0.42) KDM1AKCNH2HRH3ALDH1A1F2
SCHEMBL5791515 0.73 KDM1A (0.42) KDM1AKCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL4837323 0.71 PSEN1 (0.51) XIAP
SCHEMBL5791864 0.71 KDM1A (0.42) KDM1AKCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL5794664 0.70 KDM1A (0.45) KDM1AF2MEN1KMT2ASCN3A
SCHEMBL5794093 0.70 KDM1A (0.45) KDM1AF2MEN1KMT2ASCN3A

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