SCHEMBL17424571

CC(F)C(=O)NCC1CC(O)C(O)C(C(=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)O1

nearest known ligand 0.47

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	12/20	0.47

▸	ITGAV	P06756	12/20	0.47

▸	ITGB5	P18084	7/20	0.47

▸	MC4R	P32245	7/20	0.45

▸	MC5R	P33032	7/20	0.45

▸	MC3R	P41968	7/20	0.45

▸	MC1R	Q01726	7/20	0.45

▸	ITGB1	P05556	2/20	0.44

▸	ITGA5	P08648	2/20	0.44

▸	CTSG	P08311	1/20	0.44

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
SCHEMBL279087	0.90	ITGB3 (0.47)	ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL14075642	0.90	ITGB3 (0.47)	ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL13481561	0.83	ITGB3 (0.46)	ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL13481608	0.82	ITGB3 (0.50)	ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL13481946	0.82	ITGB3 (0.50)	ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL14075662	0.82	MC4R (0.42)	ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL14075690	0.82	MC4R (0.42)	ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL20888358	0.80	ITGB3 (0.58)	ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL21766911	0.80	ITGB3 (0.58)	ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL19605458	0.80	ITGB3 (0.58)	ITGB3ITGAVITGB5MC4RMC5R

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-9234007-B2	RGD mimetic γ-AApeptides and methods of use	UNIVERSITY OF SOUTH FLORIDA (US)	2016-01-12	—	—	US	disclosed