SCHEMBL7746265

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=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)CC(=O)O)CC(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.54

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	11/20	0.54

▸	ITGAV	P06756	7/20	0.54

▸	ITGB1	P05556	1/20	0.54

▸	ITGA5	P08648	1/20	0.54

▸	ITGB5	P18084	4/20	0.51

▸	MC4R	P32245	9/20	0.49

▸	MC5R	P33032	9/20	0.49

▸	MC3R	P41968	9/20	0.49

▸	MC1R	Q01726	9/20	0.49

▸	ITGA2B	P08514	4/20	0.49

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
SCHEMBL7746248	1.00	ITGB3 (0.54)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL8365144	0.97	ITGB3 (0.53)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14585819	0.96	MC4R (0.52)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL20888358	0.89	ITGB3 (0.58)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL19605458	0.89	ITGB3 (0.58)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL21766911	0.89	ITGB3 (0.58)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL24253307	0.88	ITGB3 (0.57)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL19605457	0.88	ITGB3 (0.57)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL19605483	0.88	ITGB3 (0.57)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL8365134	0.88	ITGB3 (0.48)	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