SCHEMBL30495611

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	1/20	0.53

▸	RXFP1	Q9HBX9	1/20	0.53

▸	GLP1R	P43220	3/20	0.49

▸	KEAP1	Q14145	1/20	0.49

▸	SCTR	P47872	1/20	0.49

▸	PTH1R	Q03431	3/20	0.49

▸	CRHR1	P34998	1/20	0.49

▸	CRHR2	Q13324	1/20	0.49

▸	TFPI	P10646	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
SCHEMBL29777814	0.91	CALCR (0.51)	APLNRRXFP1GLP1RSCTRPTH1R
SCHEMBL29777753	0.91	CALCR (0.51)	APLNRRXFP1GLP1RSCTRPTH1R
SCHEMBL31672253	0.89	APLNR (0.54)	APLNRRXFP1GLP1RPTH1R
SCHEMBL30140909	0.89	GLP1R (0.50)	APLNRGLP1RSCTRTFPI
SCHEMBL31182576	0.89	PTH1R (0.58)	RXFP1GLP1RSCTRPTH1RCRHR1
SCHEMBL30432625	0.89	PTH1R (0.59)	APLNRRXFP1GLP1RKEAP1SCTR
SCHEMBL31182682	0.89	PTH1R (0.60)	RXFP1GLP1RKEAP1PTH1RCRHR1
SCHEMBL31694504	0.87	PTH1R (0.55)	APLNRRXFP1GLP1RKEAP1SCTR
SCHEMBL31182673	0.87	GRPR (0.60)	RXFP1GLP1RKEAP1PTH1R
SCHEMBL30358158	0.87	CALCR (0.57)	GLP1RKEAP1SCTRCRHR1CRHR2

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