SCHEMBL13746517

CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(C)=O)C[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	BIRC2	Q13490	18/20	0.50

▸	XIAP	P98170	16/20	0.49

▸	BIRC3	Q13489	14/20	0.49

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.

Compound	similarity	top predicted	shared targets
SCHEMBL13747108	0.94	BIRC2 (0.48)	BIRC2XIAPBIRC3
SCHEMBL13164611	0.93	XIAP (0.57)	BIRC2XIAPBIRC3
SCHEMBL13747523	0.90	XIAP (0.56)	BIRC2XIAPBIRC3
SCHEMBL13746523	0.89	XIAP (0.51)	BIRC2XIAPBIRC3
SCHEMBL13746532	0.89	BIRC2 (0.50)	BIRC2XIAPBIRC3
SCHEMBL13747244	0.89	BIRC2 (0.50)	BIRC2XIAPBIRC3
SCHEMBL13746548	0.89	BIRC2 (0.50)	BIRC2XIAPBIRC3
SCHEMBL13872912	0.88	BIRC2 (0.53)	BIRC2XIAPBIRC3
SCHEMBL13746451	0.88	XIAP (0.53)	BIRC2XIAPBIRC3
SCHEMBL13747275	0.87	BIRC2 (0.49)	BIRC2XIAPBIRC3

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-7579320-B2	IAP BIR domain binding compounds	AEGERA THERAPEUTICS, INC.	2009-08-25	—	—	US	disclosed
US-7579320-B2	IAP BIR domain binding compounds	AEGERA THERAPEUTICS, INC.	2009-08-25	—	—	US	disclosed