SCHEMBL30495704

CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	7/20	0.60

▸	RAMP3	O60896	3/20	0.57

▸	CRHR1	P34998	1/20	0.54

▸	CRHR2	Q13324	1/20	0.54

▸	OPRM1	P35372	1/20	0.53

▸	OPRD1	P41143	1/20	0.53

▸	NPY2R	P49146	7/20	0.53

▸	NPY4R	P50391	7/20	0.53

▸	NPY5R	Q15761	7/20	0.53

▸	NPY1R	P25929	5/20	0.53

▸	EP300	Q09472	1/20	0.53

▸	HIF1A	Q16665	1/20	0.53

▸	F2	P00734	2/20	0.53

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
SCHEMBL30429340	0.88	OPRM1 (0.60)	CALCRRAMP3OPRM1OPRD1NPY2R
SCHEMBL29797076	0.87	CALCR (0.64)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL38663746	0.87	CALCR (0.65)	CALCRCRHR1CRHR2OPRD1NPY2R
SCHEMBL31182922	0.86	CALCR (0.71)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30712880	0.85	CALCR (0.61)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182968	0.85	CALCR (0.65)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31105560	0.85	NPY2R (0.72)	CALCRRAMP3CRHR1CRHR2NPY2R
SCHEMBL29410248	0.85	NPY2R (0.62)	CALCRRAMP3OPRM1OPRD1NPY2R
SCHEMBL30607374	0.85	CALCR (0.58)	CALCRRAMP3OPRM1OPRD1NPY2R
SCHEMBL31232439	0.84	OPRM1 (0.63)	CALCRRAMP3OPRM1OPRD1NPY2R

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