SCHEMBL7002282

N[C@@H](CCCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O)C(=O)NCCCC[C@H](N)C(=O)NCCCC[C@H](NS)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NOD1	Q9Y239	7/20	0.48

▸	GLP1R	P43220	8/20	0.46

▸	FNTA	P49354	2/20	0.44

▸	FNTB	P49356	2/20	0.44

▸	PGGT1B	P53609	1/20	0.43

▸	FOLH1	Q04609	2/20	0.42

▸	ITGB3	P05106	1/20	0.41

▸	ITGA2B	P08514	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
SCHEMBL24776211	0.92	NOD1 (0.50)	NOD1GLP1RFNTAFNTBPGGT1B
SCHEMBL16638315	0.92	NOD1 (0.56)	NOD1GLP1RITGB3ITGA2B
SCHEMBL16638272	0.91	NOD1 (0.53)	NOD1GLP1RFNTAFNTBPGGT1B
SCHEMBL16638258	0.91	NOD1 (0.53)	NOD1GLP1RFNTAFNTBPGGT1B
SCHEMBL16638259	0.91	NOD1 (0.53)	NOD1GLP1RFNTAFNTBPGGT1B
SCHEMBL12993536	0.90	NOD1 (0.53)	NOD1GLP1RFOLH1ITGB3ITGA2B
SCHEMBL16699151	0.89	NOD1 (0.45)	NOD1GLP1RFNTAFNTBPGGT1B
SCHEMBL4542736	0.89	NOD1 (0.45)	NOD1GLP1RFNTAFNTBPGGT1B
SCHEMBL16699153	0.89	NOD1 (0.45)	NOD1GLP1RFNTAFNTBPGGT1B
SCHEMBL15530471	0.89	NOD1 (0.45)	NOD1GLP1RFNTAFNTBPGGT1B

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-2012062804-A1	DOUBLE-ACYLATED GLP-1 DERIVATIVES WITH A LINKER	NOVO NORDISK A/S (DK)	2012-05-18	—	—	WO	disclosed