SCHEMBL17040507

CC(=O)CNC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)C(I)(I)I)C(=O)O)C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NOD1	Q9Y239	10/20	0.44

▸	FOLH1	Q04609	4/20	0.37

▸	RIMKLA	Q8IXN7	1/20	0.37

▸	NAALAD2	Q9Y3Q0	1/20	0.37

▸	GNPAT	O15228	1/20	0.36

▸	GLO1	Q04760	1/20	0.36

▸	PTGS1	P23219	1/20	0.35

▸	GSTK1	Q9Y2Q3	1/20	0.35

▸	SLC6A5	Q9Y345	1/20	0.34

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
SCHEMBL17040489	0.85	NOD1 (0.49)	NOD1FOLH1RIMKLANAALAD2GNPAT
SCHEMBL23872076	0.81	NOD1 (0.46)	NOD1FOLH1RIMKLANAALAD2GNPAT
SCHEMBL19034951	0.80	NOD1 (0.58)	NOD1FOLH1RIMKLANAALAD2GNPAT
SCHEMBL17724632	0.79	NOD1 (0.74)	NOD1SLC6A5
SCHEMBL25662203	0.79	NOD1 (0.54)	NOD1FOLH1GLO1PTGS1GSTK1
SCHEMBL25978049	0.74	NOD1 (0.58)	NOD1GLO1SLC6A5
SCHEMBL21440847	0.74	NOD1 (0.36)	NOD1FOLH1RIMKLANAALAD2GLO1
SCHEMBL25662195	0.74	NOD1 (0.36)	NOD1FOLH1RIMKLANAALAD2GLO1
SCHEMBL25662197	0.74	NOD1 (0.36)	NOD1FOLH1RIMKLANAALAD2GLO1
SCHEMBL20122040	0.72	NOD1 (0.46)	NOD1FOLH1RIMKLANAALAD2GNPAT

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
WO-2015124612-A1	STABLE GLUCAGON ANALOGUES AND USE FOR TREATMENT OF HYPOGLYCAEMIA	NOVO NORDISK A/S (DK)	2015-08-27	—	—	WO	disclosed