SCHEMBL5793050

SCHEMBL5793050

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XIAP P98170 13/20 0.42
RIPK1 Q13546 1/20 0.36
HDAC4 P56524 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
OPRK1 P41145 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.33
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5792454 1.00 XIAP (0.42) XIAPRIPK1HDAC4SMN1; SMN2TAAR1
SCHEMBL5795121 1.00 XIAP (0.42) XIAPRIPK1HDAC4SMN1; SMN2TAAR1
SCHEMBL5793810 0.81 KDM1A (0.47) RIPK1HDAC4SMN1; SMN2OPRK1ALDH1A1
SCHEMBL5793048 0.81 KDM1A (0.47) RIPK1HDAC4SMN1; SMN2OPRK1ALDH1A1
SCHEMBL4845005 0.77 PSEN1 (0.51)
SCHEMBL4841506 0.77 PSEN1 (0.51)
SCHEMBL4841310 0.77 PSEN1 (0.51)
SCHEMBL4841228 0.77 PSEN1 (0.51)
SCHEMBL4833871 0.77 PSEN1 (0.53)
SCHEMBL5791890 0.77 XIAP (0.43) XIAPHDAC4SMN1; SMN2TAAR1

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