SCHEMBL5794883

SCHEMBL5794883

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 8/20 0.37
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
CYP3A4 P08684 3/20 0.33
HSD17B10 Q99714 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
MEN1 O00255 2/20 0.33
SLC15A2 Q16348 2/20 0.33
CTRB1 P17538 2/20 0.33
BLM P54132 1/20 0.33
NR1I2 O75469 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
ADRA1A P35348 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
SCHEMBL5791328 1.00 XIAP (0.37) XIAPTAAR1ALDH1A1MAPTKMT2A
SCHEMBL5794880 0.81 KDM1A (0.49)
SCHEMBL5791325 0.81 KDM1A (0.49)
SCHEMBL5792555 0.81 XIAP (0.46) XIAPALDH1A1MAPTKMT2AKDM4E
SCHEMBL5791216 0.81 XIAP (0.46) XIAPALDH1A1MAPTKMT2AKDM4E
SCHEMBL5793422 0.79 TAAR1 (0.36) XIAPTAAR1MAPTKMT2AKDM4E
SCHEMBL5790516 0.79 TAAR1 (0.36) XIAPTAAR1MAPTKMT2AKDM4E
SCHEMBL5791532 0.79 TAAR1 (0.36) XIAPTAAR1MAPTKMT2AKDM4E
SCHEMBL5791600 0.78 TAAR1 (0.41) XIAPTAAR1
SCHEMBL4842711 0.77 PSEN1 (0.47) MAPT

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