SCHEMBL5791515

SCHEMBL5791515

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
XIAP P98170 1/20 0.41
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ALDH1A1 P00352 3/20 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
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PIK3CA P42336 1/20 0.34
KDM4E B2RXH2 2/20 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
SCHEMBL5791519 0.81 XIAP (0.57) XIAPKCNH2HRH3PSEN1PSEN2
SCHEMBL5790580 0.77 KDM1A (0.43) KDM1AALDH1A1HPGDF2
SCHEMBL5795404 0.74 KDM1A (0.45) KDM1AXIAPTSHRKMT2APOLB
SCHEMBL5794319 0.74 KDM1A (0.45) KDM1AXIAPTSHRKMT2APOLB
SCHEMBL5793580 0.73 KDM1A (0.41) KDM1AXIAPKCNH2HRH3ALDH1A1
SCHEMBL5794394 0.73 KDM1A (0.41) KDM1AXIAPKCNH2HRH3PSEN1
SCHEMBL5794811 0.73 XIAP (0.42) KDM1AXIAPKCNH2HRH3PSEN1
SCHEMBL5790344 0.72 KDM1A (0.49) KDM1AXIAPPSEN1PSEN2APH1B
SCHEMBL5790662 0.72 KDM1A (0.49) KDM1AXIAPPSEN1PSEN2APH1B
SCHEMBL4839891 0.71 PSEN1 (0.52) XIAPPSEN1PSEN2APH1BNCSTN

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