SCHEMBL13481956

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCN(CCC(=O)NCCCC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNCNN)NC2=O)C(=O)CCOCCOCCOCCOCCNC(=O)Cn2cc(CCCI)nn2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	7/20	0.48

▸	ITGAV	P06756	7/20	0.48

▸	ITGB1	P05556	2/20	0.48

▸	ITGA5	P08648	2/20	0.48

▸	MC4R	P32245	7/20	0.43

▸	MC5R	P33032	7/20	0.43

▸	MC3R	P41968	7/20	0.43

▸	MC1R	Q01726	7/20	0.43

▸	KEAP1	Q14145	1/20	0.43

▸	NFE2L2	Q16236	1/20	0.43

▸	ITGB5	P18084	3/20	0.41

▸	F2RL1	P55085	4/20	0.40

▸	CHRNA7	P36544	1/20	0.39

▸	CHRNA10	Q9GZZ6	1/20	0.39

▸	CHRNA9	Q9UGM1	1/20	0.39

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
SCHEMBL8209061	0.92	ITGB3 (0.51)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13481647	0.92	ITGB3 (0.50)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13481632	0.92	ITGB3 (0.51)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13481583	0.92	ITGB3 (0.51)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL12248205	0.91	ITGB3 (0.44)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13481604	0.91	ITGB3 (0.52)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL14117209	0.88	ITGB3 (0.47)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL14075658	0.87	ITGB3 (0.47)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13918124	0.86	ITGB3 (0.45)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL12227498	0.86	ITGB3 (0.44)	ITGB3ITGAVITGB1ITGA5MC4R

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-7666392-B2	Click chemistry-derived cyclopeptide derivatives as imaging agents for integrins	SIEMENS MEDICAL SOLUTIONS USA, INC. (US)	2010-02-23	—	—	US	disclosed