SCHEMBL15397366

CCCC(=O)NCCCC[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.60

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	10/20	0.60

▸	ITGAV	P06756	6/20	0.60

▸	ITGB1	P05556	1/20	0.60

▸	ITGA5	P08648	1/20	0.60

▸	MC4R	P32245	10/20	0.56

▸	MC5R	P33032	10/20	0.56

▸	MC3R	P41968	10/20	0.56

▸	MC1R	Q01726	10/20	0.56

▸	ITGB5	P18084	3/20	0.56

▸	ITGA2B	P08514	4/20	0.51

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
SCHEMBL10138534	1.00	ITGB3 (0.60)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL12462935	0.94	ITGB3 (0.53)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL24253307	0.94	ITGB3 (0.57)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL19605457	0.94	ITGB3 (0.57)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL24285406	0.92	ITGB3 (0.60)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL10259650	0.92	MC4R (0.62)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL24253223	0.92	ITGB3 (0.58)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL24253222	0.92	ITGB3 (0.58)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL12146076	0.91	ITGB3 (0.50)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL21766911	0.91	ITGB3 (0.58)	ITGB3ITGAVITGB1ITGA5MC4R

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-20130310912-A1	COVALENT MODIFICATION OF METAL SURFACES	INTEZYNE TECHNOLOGIES (US)	2013-11-21	—	—	US	disclosed