SCHEMBL16015126

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)NCN[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)C(=O)[C@H](Cc1cnc[nH]1)NC)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	6/20	0.61

▸	CCKBR	P32239	1/20	0.60

▸	PTH1R	Q03431	9/20	0.60

▸	ECE1	P42892	1/20	0.59

▸	MUS81	Q96NY9	1/20	0.59

▸	NR3C1	P04150	5/20	0.59

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
SCHEMBL2759455	0.87	NR3C1 (0.70)	GLP1RCCKBRPTH1RECE1MUS81
SCHEMBL2742706	0.87	NR3C1 (0.70)	GLP1RCCKBRPTH1RECE1MUS81
SCHEMBL5959058	0.86	GLP1R (0.68)	GLP1RCCKBRPTH1RECE1MUS81
SCHEMBL10083215	0.85	GLP1R (0.70)	GLP1RCCKBRECE1MUS81NR3C1
SCHEMBL2752275	0.84	GLP1R (0.70)	GLP1RCCKBRECE1MUS81NR3C1
SCHEMBL6123960	0.83	GLP1R (0.69)	GLP1RCCKBRECE1MUS81NR3C1
SCHEMBL15024692	0.83	GLP1R (0.67)	GLP1RCCKBRECE1MUS81NR3C1
SCHEMBL12873154	0.83	GLP1R (0.67)	GLP1RCCKBRECE1MUS81NR3C1
SCHEMBL29412274	0.83	GLP1R (0.73)	GLP1RCCKBRPTH1RECE1MUS81
SCHEMBL15086005	0.82	GLP1R (0.67)	GLP1RCCKBRECE1MUS81NR3C1

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-8828994-B2	Di- and tri-substituted oxathiazine derivatives, method for the production thereof, use thereof as medicine and drug containing said derivatives and use thereof	SANOFI (FR)	2014-09-09	—	—	US	disclosed