SCHEMBL30495631

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.66

▸	CALCR	P30988	5/20	0.63

▸	HCRTR1	O43613	1/20	0.62

▸	HCRTR2	O43614	1/20	0.62

▸	MC4R	P32245	1/20	0.61

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

▸	NPY2R	P49146	3/20	0.58

▸	NPY4R	P50391	3/20	0.58

▸	NPY5R	Q15761	3/20	0.58

▸	NPY1R	P25929	2/20	0.58

▸	NMUR2	Q9GZQ4	1/20	0.58

▸	NMUR1	Q9HB89	1/20	0.58

▸	CXCR4	P61073	2/20	0.57

▸	NMBR	P28336	1/20	0.57

▸	GRPR	P30550	1/20	0.57

▸	RAMP3	O60896	1/20	0.57

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
SCHEMBL30804656	0.90	F2 (0.67)	F2CALCRHCRTR1HCRTR2MC4R
SCHEMBL29742947	0.90	F2 (0.62)	F2CALCRHCRTR1HCRTR2MC4R
SCHEMBL30726629	0.89	F2 (0.63)	F2CALCRHCRTR1HCRTR2MC4R
SCHEMBL29854496	0.88	NPY2R (0.68)	F2CALCRMC4RNPY2RNPY4R
SCHEMBL31678903	0.88	MC4R (0.67)	F2MC4RNPY2RNPY4RNPY5R
SCHEMBL30216268	0.88	F2 (0.67)	F2CALCRHCRTR1HCRTR2MC4R
SCHEMBL31000937	0.88	F2 (0.63)	F2CALCRHCRTR1HCRTR2MC4R
SCHEMBL29638059	0.88	MC4R (0.61)	F2CALCRMC4RNPY2RNPY4R
SCHEMBL29638066	0.88	MC4R (0.61)	F2CALCRMC4RNPY2RNPY4R
SCHEMBL30431687	0.88	F2 (0.64)	F2CALCRHCRTR1HCRTR2CRHR1

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