SCHEMBL17023189

CC(=O)NCCOC(COCCOCCOCCC(=O)NCCCC[C@@H]1NC(=O)N(Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O)N=[N+]=[N-]

nearest known ligand 0.47

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	5/20	0.47

▸	ITGAV	P06756	5/20	0.47

▸	ITGB1	P05556	1/20	0.47

▸	ITGA5	P08648	1/20	0.47

▸	MC4R	P32245	10/20	0.44

▸	MC5R	P33032	10/20	0.44

▸	MC3R	P41968	10/20	0.44

▸	MC1R	Q01726	10/20	0.44

▸	KEAP1	Q14145	1/20	0.42

▸	NFE2L2	Q16236	1/20	0.42

▸	ITGB5	P18084	3/20	0.41

▸	TSLP	Q969D9	4/20	0.39

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
SCHEMBL17023187	0.92	ITGB3 (0.43)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13918138	0.88	ITGB3 (0.53)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13918136	0.82	ITGB3 (0.48)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL17029683	0.80	ITGB3 (0.57)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL12227486	0.79	ITGB3 (0.47)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL2532508	0.79	ITGB3 (0.47)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL2534766	0.78	ITGB3 (0.48)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL12227498	0.77	ITGB3 (0.44)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL7744481	0.77	ITGB3 (0.64)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL279121	0.77	ITGB3 (0.64)	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
EP-2182974-B1	CYCLIC AZAPEPTIDES AS INTEGRIN MARKERS	SIEMENS MEDICAL SOLUTIONS (US)	2015-08-26	—	—	EP	disclosed