SCHEMBL6689263

CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C]=O)CO)[C@@H](C)O)C(C)C

nearest known ligand 0.77

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	8/20	0.69

▸	GCGR	P47871	3/20	0.69

▸	CALCR	P30988	3/20	0.66

▸	CCKBR	P32239	4/20	0.63

▸	NPY1R	P25929	1/20	0.62

▸	NPY2R	P49146	1/20	0.62

▸	NPY4R	P50391	1/20	0.62

▸	NPY5R	Q15761	1/20	0.62

▸	CALCA	P06881	1/20	0.62

▸	C5AR1	P21730	1/20	0.62

▸	CXCR4	P61073	3/20	0.62

▸	KEAP1	Q14145	1/20	0.61

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
SCHEMBL30932197	0.90	GLP1R (0.71)	GLP1RGCGRCCKBRNPY1RNPY2R
SCHEMBL30523133	0.90	GLP1R (0.71)	GLP1RGCGRCCKBRNPY1RNPY2R
SCHEMBL31457381	0.90	GLP1R (0.72)	GLP1RGCGRCALCRCCKBRNPY1R
SCHEMBL29595302	0.90	CALCR (0.74)	GLP1RGCGRCALCRCCKBRNPY1R
SCHEMBL30658237	0.89	CALCR (0.76)	GLP1RGCGRCALCRCCKBRNPY1R
SCHEMBL31146727	0.89	CALCR (0.74)	GLP1RGCGRCALCRCCKBRNPY1R
SCHEMBL31202689	0.89	CALCR (0.73)	GLP1RGCGRCALCRCCKBRNPY1R
SCHEMBL30979204	0.89	GLP1R (0.73)	GLP1RGCGRCALCRCCKBRNPY1R
SCHEMBL30721590	0.89	CALCR (0.73)	GLP1RGCGRCALCRCCKBRNPY1R
SCHEMBL30721546	0.89	CALCR (0.73)	GLP1RGCGRCALCRCCKBRNPY1R

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-2004096217-A1	USE OF N-TYPE CALCIUM CHANNEL INHIBITORS IN TREATING DEMYELINATING DISEASES	EISAI LONDON RESEARCH LABORATORIES LIMITED (GB)	2004-11-11	—	—	WO	claimed