SCHEMBL5793422

SCHEMBL5793422

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
XIAP P98170 6/20 0.35
CTRB1 P17538 5/20 0.34
CTSL P07711 4/20 0.33
CTSK P43235 4/20 0.33
CTSS P25774 2/20 0.33
CTSB P07858 1/20 0.33
KDM4E B2RXH2 3/20 0.33
RECQL P46063 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
TEK Q02763 1/20 0.33
SLC15A2 Q16348 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 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
SCHEMBL5790516 1.00 TAAR1 (0.36) TAAR1XIAPCTRB1CTSLCTSK
SCHEMBL5791532 1.00 TAAR1 (0.36) TAAR1XIAPCTRB1CTSLCTSK
SCHEMBL5790510 0.80 KDM1A (0.47) GAAMAPT
SCHEMBL5791529 0.80 KDM1A (0.47) GAAMAPT
SCHEMBL5793421 0.80 KDM1A (0.47) GAAMAPT
SCHEMBL5794883 0.79 XIAP (0.37) TAAR1XIAPCTRB1KDM4ETDP1
SCHEMBL5791328 0.79 XIAP (0.37) TAAR1XIAPCTRB1KDM4ETDP1
SCHEMBL5794458 0.78 XIAP (0.39) TAAR1XIAP
SCHEMBL4837341 0.76 PSEN1 (0.47)
SCHEMBL4842014 0.76 PSEN1 (0.47)

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