SCHEMBL29596470

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	5/20	0.55

▸	OPRD1	P41143	5/20	0.55

▸	OPRK1	P41145	1/20	0.54

▸	GLP1R	P43220	5/20	0.48

▸	SCTR	P47872	1/20	0.48

▸	CRHR1	P34998	1/20	0.47

▸	CRHR2	Q13324	1/20	0.47

▸	CALCR	P30988	4/20	0.47

▸	F2	P00734	3/20	0.46

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
SCHEMBL29596587	1.00	OPRM1 (0.55)	OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL30460275	0.95	OPRD1 (0.60)	OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL29597500	0.94	OPRM1 (0.56)	OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL29597233	0.94	OPRM1 (0.56)	OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL30973951	0.91	GLP1R (0.53)	OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL31005062	0.89	GLP1R (0.55)	OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL29521627	0.87	GLP1R (0.58)	OPRM1OPRD1OPRK1GLP1RCRHR1
SCHEMBL30974489	0.86	OPRD1 (0.49)	OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL30342536	0.85	BACE1 (0.51)	OPRM1OPRD1GLP1RSCTR
SCHEMBL29519563	0.85	OPRM1 (0.50)	OPRM1OPRD1OPRK1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-114133432-A	Targeting peptide for inhibiting growth and metastasis of tumor cells and application thereof	暨南大学	2022-03-04	—	—	CN	claimed
CN-114133432-B	Targeted peptide for inhibiting growth and metastasis of tumor cells and application thereof	暨南大学	2023-06-16	—	—	CN	disclosed
CN-114133432-B	Targeted peptide for inhibiting growth and metastasis of tumor cells and application thereof	暨南大学	2023-06-16	—	—	CN	disclosed
CN-114133432-A	Targeting peptide for inhibiting growth and metastasis of tumor cells and application thereof	暨南大学	2022-03-04	—	—	CN	disclosed
CN-114133432-A	Targeting peptide for inhibiting growth and metastasis of tumor cells and application thereof	暨南大学	2022-03-04	—	—	CN	disclosed