SCHEMBL5792641

SCHEMBL5792641

C[C@H](N)C(=O)N[C@@H]1C(=O)N(C)C[C@H](c2ccccc2)C[C@H]1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XIAP P98170 11/20 0.44
KDM1A O60341 2/20 0.41
BRD4 O60885 3/20 0.40
SRD5A1 P18405 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL5792639 0.83 KDM1A (0.56) KDM1ABRD4SRD5A1HRH3
SCHEMBL5761078 0.78 KDM1A (0.39) XIAPKDM1ASMN1; SMN2NPSR1
SCHEMBL5763516 0.78 KDM1A (0.39) XIAPKDM1ASMN1; SMN2NPSR1
SCHEMBL5763400 0.78 KDM1A (0.39) XIAPKDM1ASMN1; SMN2NPSR1
SCHEMBL4840227 0.78 PSEN1 (0.51) KDM1A
SCHEMBL4833092 0.78 PSEN1 (0.51) KDM1A
SCHEMBL4842830 0.78 PSEN1 (0.51) KDM1A
SCHEMBL4841145 0.78 PSEN1 (0.51) KDM1A
SCHEMBL4837139 0.78 PSEN1 (0.51) KDM1A
SCHEMBL4840677 0.78 PSEN1 (0.51) KDM1A

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 2 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 disclosed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO disclosed