SCHEMBL14615580

N=C(N)NCC/C=C1\NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCCNC(=O)c2ccc(NN=Cc3ccccc3S(=O)(=O)O)nc2)NC(=O)[C@@H](Cc2ccccc2)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	11/20	0.40

▸	ITGAV	P06756	8/20	0.40

▸	MC4R	P32245	9/20	0.39

▸	MC5R	P33032	9/20	0.39

▸	MC3R	P41968	9/20	0.39

▸	MC1R	Q01726	9/20	0.39

▸	ITGB1	P05556	1/20	0.38

▸	ITGA5	P08648	1/20	0.38

▸	ITGA2B	P08514	3/20	0.38

▸	ITGB5	P18084	4/20	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
SCHEMBL14585806	0.92	MC4R (0.44)	ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL7746015	0.92	MC4R (0.44)	ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL7746130	0.92	MC4R (0.44)	ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL7743862	0.92	MC4R (0.44)	ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL7744204	0.89	ITGB3 (0.43)	ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL7744338	0.88	ITGB3 (0.44)	ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7746278	0.85	ITGB3 (0.43)	ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL8363695	0.84	ITGB3 (0.46)	ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL8365734	0.84	ITGB3 (0.46)	ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL7746128	0.83	KDM4A (0.43)	ITGB3ITGAVMC4RMC5RMC3R

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