SCHEMBL14615548

N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC(=O)CCC(NC(=O)c2ccc(CNN=Cc3ccccc3S(=O)(=O)O)nc2)C(=O)NCCCC[C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc3ccccc3)NC2=O)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	7/20	0.42

▸	ITGAV	P06756	7/20	0.42

▸	ITGB1	P05556	1/20	0.42

▸	ITGA5	P08648	1/20	0.42

▸	ITGB5	P18084	2/20	0.42

▸	TPSAB1	Q15661	3/20	0.41

▸	MC4R	P32245	8/20	0.39

▸	MC5R	P33032	8/20	0.39

▸	MC3R	P41968	8/20	0.39

▸	MC1R	Q01726	8/20	0.39

▸	FURIN	P09958	1/20	0.38

▸	KEAP1	Q14145	1/20	0.38

▸	NFE2L2	Q16236	1/20	0.38

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
SCHEMBL14585811	1.00	ITGB3 (0.42)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14585803	0.94	ITGB3 (0.39)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7738391	0.92	ITGB3 (0.43)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7744244	0.92	ITGB3 (0.43)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7743585	0.90	ITGB3 (0.41)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14615646	0.87	ITGB3 (0.34)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7744380	0.87	KEAP1 (0.43)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7743625	0.86	TPSAB1 (0.41)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7744149	0.85	KEAP1 (0.42)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14585794	0.83	KEAP1 (0.40)	ITGB3ITGAVITGB1ITGA5ITGB5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-7179446-B2	Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent	BRISTOL-MYERS SQUIBB PHARMA COMPANY (US)	2007-02-20	—	—	US	disclosed