SCHEMBL7743585

N=C(N)NCCC[C@@H]1NC(=O)C(CCCCNC(=O)CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(NN=Cc3ccccc3S(=O)(=O)O)nc2)C(=O)NCCCC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	8/20	0.41

▸	ITGAV	P06756	8/20	0.41

▸	ITGB1	P05556	1/20	0.41

▸	ITGA5	P08648	1/20	0.41

▸	ALB	P02768	1/20	0.40

▸	TPSAB1	Q15661	2/20	0.40

▸	ITGB5	P18084	1/20	0.38

▸	MC4R	P32245	7/20	0.38

▸	MC5R	P33032	7/20	0.38

▸	MC3R	P41968	7/20	0.38

▸	MC1R	Q01726	7/20	0.38

▸	KEAP1	Q14145	1/20	0.37

▸	NFE2L2	Q16236	1/20	0.37

▸	CSNK2A2	P19784	1/20	0.37

▸	CSNK2B	P67870	1/20	0.37

▸	CSNK2A1	P68400	1/20	0.37

▸	CSNK2A3	Q8NEV1	1/20	0.37

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
SCHEMBL7744244	0.97	ITGB3 (0.43)	ITGB3ITGAVITGB1ITGA5TPSAB1
SCHEMBL7738391	0.97	ITGB3 (0.43)	ITGB3ITGAVITGB1ITGA5TPSAB1
SCHEMBL7744380	0.92	KEAP1 (0.43)	ITGB3ITGAVITGB1ITGA5TPSAB1
SCHEMBL7743625	0.91	TPSAB1 (0.41)	ITGB3ITGAVITGB1ITGA5ALB
SCHEMBL7744149	0.90	KEAP1 (0.42)	ITGB3ITGAVITGB1ITGA5ALB
SCHEMBL14615548	0.90	ITGB3 (0.42)	ITGB3ITGAVITGB1ITGA5TPSAB1
SCHEMBL14585811	0.90	ITGB3 (0.42)	ITGB3ITGAVITGB1ITGA5TPSAB1
SCHEMBL8365137	0.89	TPSAB1 (0.41)	ITGB3ITGAVITGB1ITGA5ALB
SCHEMBL7746130	0.88	MC4R (0.44)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7746015	0.88	MC4R (0.44)	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-6537520-B1	Diagnosis and treatment of cancer; kit containing compound having peptide or peptidomimetic functionality that binds to a alpha v beta 3 receptor linked to a chelator	BRISTOL-MYERS SQUIBB PHARMA COMPANY	2003-03-25	—	—	US	disclosed