SCHEMBL14585830

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

nearest known ligand 0.53

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	8/20	0.53

▸	ITGAV	P06756	8/20	0.53

▸	ITGB1	P05556	2/20	0.53

▸	ITGA5	P08648	2/20	0.53

▸	KEAP1	Q14145	1/20	0.49

▸	NFE2L2	Q16236	1/20	0.49

▸	ITGB5	P18084	4/20	0.45

▸	MC4R	P32245	6/20	0.43

▸	MC5R	P33032	6/20	0.43

▸	MC3R	P41968	6/20	0.43

▸	MC1R	Q01726	6/20	0.43

▸	TPSAB1	Q15661	2/20	0.41

▸	HSP90AB1	P08238	1/20	0.41

▸	F2RL1	P55085	2/20	0.41

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
SCHEMBL7744481	0.88	ITGB3 (0.64)	ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL279121	0.88	ITGB3 (0.64)	ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL15133702	0.87	ITGB3 (0.56)	ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL20215539	0.84	ITGB3 (0.53)	ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL15133719	0.83	ITGB3 (0.54)	ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL7738281	0.83	ITGB3 (0.52)	ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL7744368	0.82	ITGB3 (0.51)	ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL8365736	0.82	ITGB3 (0.51)	ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL14585795	0.82	ITGB3 (0.52)	ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL14885782	0.82	ITGB3 (0.61)	ITGB3ITGAVITGB1ITGA5KEAP1

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