SCHEMBL30495625

CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	2/20	0.67

▸	CALCR	P30988	3/20	0.65

▸	GLP1R	P43220	9/20	0.65

▸	GCGR	P47871	8/20	0.64

▸	GIPR	P48546	5/20	0.63

▸	PTH1R	Q03431	4/20	0.63

▸	NPY1R	P25929	1/20	0.63

▸	NPY2R	P49146	1/20	0.63

▸	NPY4R	P50391	1/20	0.63

▸	NPY5R	Q15761	1/20	0.63

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
SCHEMBL30466127	0.98	GLP1R (0.69)	CXCR4CALCRGLP1RGCGRGIPR
SCHEMBL30466130	0.94	GLP1R (0.69)	CALCRGLP1RGCGRGIPRNPY1R
SCHEMBL30432727	0.94	APLNR (0.63)	CXCR4GLP1RGCGRGIPRNPY1R
SCHEMBL30658311	0.93	CALCR (0.67)	CXCR4CALCRGLP1RGCGRGIPR
SCHEMBL30466128	0.92	CALCR (0.70)	CALCRGLP1RGCGRGIPRNPY1R
SCHEMBL31457380	0.92	CXCR4 (0.70)	CXCR4CALCRGLP1RGCGRGIPR
SCHEMBL30159330	0.91	CALCR (0.73)	CALCRGLP1RGCGRGIPRNPY1R
SCHEMBL30437189	0.91	CALCR (0.74)	CXCR4CALCRGLP1RGCGRNPY1R
SCHEMBL31182991	0.91	CALCR (0.69)	CXCR4CALCRGLP1RGCGRGIPR
SCHEMBL31217658	0.91	CALCR (0.75)	CALCRGLP1RGCGRGIPRNPY1R

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