SCHEMBL14585809

CC(C)[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)C(CCCCNC(=O)C(=N)CCC(=O)NCCCC[C@H]2NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC2=O)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	12/20	0.53

▸	ITGAV	P06756	10/20	0.53

▸	ITGB1	P05556	6/20	0.53

▸	ITGA5	P08648	6/20	0.53

▸	ITGA2B	P08514	4/20	0.48

▸	ITGB5	P18084	2/20	0.47

▸	KLKB1	P03952	1/20	0.46

▸	PLAU	P00749	2/20	0.45

▸	CTSG	P08311	2/20	0.43

▸	NNMT	P40261	1/20	0.43

▸	KDM4A	O75164	1/20	0.43

▸	ITGB8	P26012	4/20	0.42

▸	ITGB6	P18564	3/20	0.42

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
SCHEMBL7744371	0.88	ITGB3 (0.52)	ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7743802	0.87	ITGB3 (0.56)	ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL8365733	0.85	ITGB3 (0.53)	ITGB3ITGAVITGB1ITGA5ITGA2B
Cyclorgdfv SCHEMBL19605549	0.83	ITGB3 (0.58)	ITGB3ITGAVITGB1ITGA5ITGA2B
Cyclorgdfv SCHEMBL19605449	0.83	ITGB3 (0.58)	ITGB3ITGAVITGB1ITGA5ITGA2B
Cyclorgdfv SCHEMBL25474158	0.83	ITGB3 (0.58)	ITGB3ITGAVITGB1ITGA5ITGA2B
Cyclorgdfv SCHEMBL29973120	0.83	ITGB3 (0.58)	ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL29726666	0.82	ITGB3 (0.54)	ITGB3ITGAVITGA2BITGB5
SCHEMBL24253221	0.81	ITGB3 (0.49)	ITGB3ITGAVITGA2BITGB5
SCHEMBL15082201	0.81	CACNA1B (0.56)	ITGB3ITGAVITGB1ITGA5ITGA2B

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