SCHEMBL5793607

SCHEMBL5793607

C[C@H](N)C(=O)N[C@H]1CC(c2ccccc2)=CCNC1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
F2 P00734 1/20 0.39
XIAP P98170 10/20 0.39
CTSL P07711 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
NAAA Q02083 1/20 0.35
CTSK P43235 1/20 0.34

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
SCHEMBL5793603 0.81 KDM1A (0.42) F2NAAA
SCHEMBL5791866 0.81 TAAR1 (0.43) TAAR1XIAPCTSL
SCHEMBL5794668 0.78 XIAP (0.39) TAAR1XIAPCTSLHDAC1HDAC2
SCHEMBL5794096 0.78 XIAP (0.39) TAAR1XIAPCTSLHDAC1HDAC2
SCHEMBL5793583 0.78 XIAP (0.47) TAAR1XIAPHDAC1HDAC2HDAC8
SCHEMBL4841143 0.77 PSEN1 (0.47) F2
SCHEMBL4840504 0.77 PSEN1 (0.47) F2
SCHEMBL4843123 0.76 PSEN1 (0.49) F2
Hydrochloric Acid SCHEMBL25342642 0.74 XIAP (0.43) XIAP
Hydrochloric Acid SCHEMBL25342639 0.74 XIAP (0.43) XIAP

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