SCHEMBL31014868

CCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.62

▸	OPRM1	P35372	3/20	0.56

▸	OPRD1	P41143	3/20	0.56

▸	F2	P00734	4/20	0.56

▸	NMUR2	Q9GZQ4	1/20	0.56

▸	NMUR1	Q9HB89	1/20	0.56

▸	KEAP1	Q14145	1/20	0.55

▸	OPRK1	P41145	2/20	0.55

▸	NPY2R	P49146	5/20	0.54

▸	NPY4R	P50391	5/20	0.54

▸	NPY5R	Q15761	5/20	0.54

▸	NPY1R	P25929	4/20	0.54

▸	EP300	Q09472	1/20	0.54

▸	HIF1A	Q16665	1/20	0.54

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
SCHEMBL31000872	0.90	CALCR (0.60)	CALCROPRM1OPRD1F2KEAP1
SCHEMBL31000913	0.88	CALCR (0.66)	CALCROPRM1OPRD1OPRK1NPY2R
SCHEMBL31000946	0.88	CALCR (0.64)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL31015010	0.87	OPRM1 (0.59)	OPRM1OPRD1KEAP1
SCHEMBL31388233	0.87	KEAP1 (0.60)	CALCROPRM1OPRD1F2KEAP1
SCHEMBL30433441	0.87	CALCR (0.65)	CALCROPRD1NPY2RNPY4RNPY5R
SCHEMBL30804663	0.86	OPRM1 (0.58)	CALCROPRM1OPRD1F2OPRK1
SCHEMBL30648485	0.86	CALCR (0.66)	CALCRF2EP300HIF1A
SCHEMBL31000870	0.85	MAPK8 (0.67)	CALCRNMUR2NMUR1NPY2RNPY4R
SCHEMBL30495721	0.85	NPY2R (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-118496322-A	Polypeptide inhibitor for targeted degradation of beta-catenin and application thereof	昆明医科大学	2024-08-16	—	—	CN	claimed
CN-118496322-A	Polypeptide inhibitor for targeted degradation of beta-catenin and application thereof	昆明医科大学	2024-08-16	—	—	CN	disclosed