SCHEMBL15591110

NCCC[C@@H]1NC(=O)[C@H]2NC(=O)[C@H](CCCCNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CON)NC(=O)CSC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)COCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CSS2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.60

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	8/20	0.60

▸	ITGAV	P06756	6/20	0.60

▸	ITGB1	P05556	2/20	0.47

▸	ITGA5	P08648	2/20	0.47

▸	MC4R	P32245	6/20	0.47

▸	MC5R	P33032	6/20	0.47

▸	MC3R	P41968	6/20	0.47

▸	MC1R	Q01726	6/20	0.47

▸	ITGB5	P18084	3/20	0.45

▸	GRB7	Q14451	1/20	0.44

▸	CTSG	P08311	2/20	0.44

▸	KLKB1	P03952	1/20	0.43

▸	PLAU	P00749	1/20	0.42

▸	ITGA2B	P08514	2/20	0.41

▸	TSLP	Q969D9	1/20	0.41

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
SCHEMBL15317804	0.96	ITGB3 (0.65)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL18505848	0.91	ITGB3 (0.57)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL11928877	0.91	ITGB3 (0.64)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL14090937	0.90	ITGB3 (0.64)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13870347	0.89	ITGB3 (0.63)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13870357	0.89	ITGB3 (0.63)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL9908265	0.89	ITGB3 (0.63)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13531889	0.87	ITGB3 (0.60)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL15188715	0.86	ITGB3 (0.56)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13014849	0.85	ITGB3 (0.63)	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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2014082958-A1	18F-LABELLED ALDEHYDE COMPOSITIONS FOR RADIOFLUORINATION	GE HEALTHCARE LIMITED (GB)	2014-06-05	—	—	WO	disclosed
WO-2013174909-A1	PURIFICATION OF [18F] - FLUCICLATIDE	GE HEALTHCARE LIMITED (GB)	2013-11-28	—	—	WO	disclosed