SCHEMBL30495661

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.70

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.70

▸	CALCR	P30988	5/20	0.70

▸	CRHR1	P34998	1/20	0.62

▸	CRHR2	Q13324	1/20	0.62

▸	HCRTR1	O43613	1/20	0.62

▸	HCRTR2	O43614	1/20	0.62

▸	NPY2R	P49146	7/20	0.60

▸	NPY4R	P50391	7/20	0.60

▸	NPY5R	Q15761	7/20	0.60

▸	NPY1R	P25929	5/20	0.60

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
SCHEMBL29949630	0.94	CALCR (0.74)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30906471	0.91	CALCR (0.66)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL29903351	0.91	CALCR (0.71)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL29599159	0.90	CALCR (0.75)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL29812828	0.90	CALCR (0.70)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL29812380	0.90	F2 (0.70)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL31182483	0.90	CALCR (0.71)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL31182828	0.89	CALCR (0.71)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30432865	0.89	CALCR (0.76)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL31182527	0.89	CALCR (0.74)	F2CALCRCRHR1CRHR2HCRTR1

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