SCHEMBL30495763

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.57

▸	F2	P00734	4/20	0.54

▸	HCRTR1	O43613	1/20	0.54

▸	HCRTR2	O43614	1/20	0.54

▸	CRHR1	P34998	1/20	0.53

▸	CRHR2	Q13324	1/20	0.53

▸	NPY2R	P49146	7/20	0.52

▸	NPY4R	P50391	7/20	0.52

▸	NPY5R	Q15761	7/20	0.52

▸	NPY1R	P25929	5/20	0.52

▸	APLNR	P35414	1/20	0.49

▸	CCKBR	P32239	1/20	0.48

▸	GLP1R	P43220	1/20	0.48

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
SCHEMBL30432409	0.90	CALCR (0.62)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30906452	0.89	CALCR (0.67)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL29615082	0.88	CALCR (0.61)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30906561	0.87	NPY2R (0.65)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL31745605	0.87	CALCR (0.72)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30432634	0.86	CALCR (0.56)	CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL30824289	0.86	CALCR (0.63)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30481466	0.86	HCRTR1 (0.56)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL29416089	0.85	CALCR (0.61)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL31295724	0.85	CALCR (0.66)	CALCRF2HCRTR1HCRTR2CRHR1

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