SCHEMBL5763995

SCHEMBL5763995

C[C@H](N)C(=O)N[C@H]1CC[C@@H](c2ccccc2)CNC1=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.46
CALCRL Q16602 1/20 0.46
XIAP P98170 8/20 0.44
CTSL P07711 1/20 0.42
ALDH1A1 P00352 1/20 0.40
ASAH1 Q13510 1/20 0.40

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
SCHEMBL5764623 1.00 NAAA (0.46) NAAACALCRLXIAPCTSLALDH1A1
SCHEMBL1435407 0.83 CALCRL (0.51) NAAACALCRLALDH1A1ASAH1
SCHEMBL2893178 0.83 CALCRL (0.51) NAAACALCRLALDH1A1ASAH1
SCHEMBL5554408 0.83 CALCRL (0.51) NAAACALCRLALDH1A1ASAH1
SCHEMBL5762909 0.81 XIAP (0.47) XIAPALDH1A1
SCHEMBL5763039 0.81 MASP2 (0.42) XIAPALDH1A1
SCHEMBL5762197 0.81 XIAP (0.47) XIAPALDH1A1
SCHEMBL5761726 0.81 MASP2 (0.42) XIAPALDH1A1
SCHEMBL5764621 0.80 KDM1A (0.50) NAAACALCRLASAH1
SCHEMBL5763990 0.80 KDM1A (0.50) NAAACALCRLASAH1

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