SCHEMBL5791600

SCHEMBL5791600

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
XIAP P98170 13/20 0.37
F2 P00734 1/20 0.34
NAAA Q02083 1/20 0.33
BUB1 O43683 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL5791597 0.82 KDM1A (0.46) TAAR1F2
SCHEMBL5794323 0.79 XIAP (0.46) TAAR1XIAP
SCHEMBL5795407 0.79 XIAP (0.46) TAAR1XIAP
SCHEMBL4836888 0.78 PSEN1 (0.45) F2
SCHEMBL4841221 0.78 PSEN1 (0.45) F2
SCHEMBL4845937 0.78 PSEN1 (0.45) F2
SCHEMBL4843024 0.78 PSEN1 (0.45) F2
SCHEMBL5794883 0.78 XIAP (0.37) TAAR1XIAP
SCHEMBL5791328 0.78 XIAP (0.37) TAAR1XIAP
SCHEMBL4841586 0.77 PSEN1 (0.50) F2

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