SCHEMBL5959058

CC[C@H](C)[C@H](NC(=O)C(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)[C@@H](NC(=O)C(CCCCN)NNC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)C(=O)C(=O)[C@H](Cc1ccccc1)NN[C@@H](CCC(=O)O)C(=O)C(=O)[C@H](CCCCN)NC(=O)C(C)NC(=O)[C@H](C)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CCC(=O)O)NNC(CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)N[C@@H](CO)C(=O)NC(C(=O)N[C@@H](CC(=O)O)C(=O)C(=O)[C@H](CO)NN[C@H](C(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(C)(C)CC(=O)[C@H](Cc1cnc[nH]1)NN)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	13/20	0.68

▸	NR3C1	P04150	6/20	0.65

▸	CCKBR	P32239	1/20	0.65

▸	ECE1	P42892	1/20	0.65

▸	MUS81	Q96NY9	1/20	0.65

▸	PTH1R	Q03431	1/20	0.62

▸	CCKAR	P32238	1/20	0.60

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
SCHEMBL2742706	0.96	NR3C1 (0.70)	GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL2759455	0.96	NR3C1 (0.70)	GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL10083215	0.92	GLP1R (0.70)	GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL2752275	0.92	GLP1R (0.70)	GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL6123960	0.91	GLP1R (0.69)	GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL15086005	0.88	GLP1R (0.67)	GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL15024692	0.87	GLP1R (0.67)	GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL14769532	0.87	GLP1R (0.67)	GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL29358622	0.87	GLP1R (0.82)	GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL11932912	0.87	TFPI (0.64)	GLP1RNR3C1CCKBR

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-8173674-B2	Sulfonyl-phenyl-2H-[1,2,4]oxadiazol-5-one derivatives, processes for their preparation and their use as pharmaceuticals	SANOFI-AVENTIS (FR)	2012-05-08	—	—	US	disclosed