SCHEMBL30495835

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.61

▸	GLP1R	P43220	10/20	0.59

▸	CRHR1	P34998	1/20	0.57

▸	CRHR2	Q13324	1/20	0.57

▸	HCRTR1	O43613	1/20	0.54

▸	HCRTR2	O43614	1/20	0.54

▸	KEAP1	Q14145	1/20	0.54

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
SCHEMBL30358187	0.91	CALCR (0.61)	CALCRGLP1RCRHR1CRHR2
SCHEMBL29903350	0.91	CALCR (0.63)	CALCRGLP1RCRHR1CRHR2HCRTR1
SCHEMBL31183008	0.90	CALCR (0.64)	CALCRGLP1RCRHR1CRHR2
SCHEMBL30518885	0.90	GLP1R (0.61)	CALCRGLP1RCRHR1CRHR2KEAP1
SCHEMBL29566290	0.89	GLP1R (0.60)	CALCRGLP1RCRHR1CRHR2
SCHEMBL29416053	0.89	CALCR (0.60)	CALCRGLP1RCRHR1CRHR2
SCHEMBL31683302	0.88	CALCR (0.66)	CALCRGLP1RCRHR1CRHR2HCRTR1
SCHEMBL29649197	0.88	CALCR (0.60)	CALCRGLP1RCRHR1CRHR2
SCHEMBL31243563	0.87	GLP1R (0.60)	GLP1R
SCHEMBL38665433	0.87	CALCR (0.54)	CALCRGLP1RCRHR1CRHR2

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-20230190887-A1	TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-22	—	—	US	disclosed