SCHEMBL30420308

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	6/20	0.52

▸	OPRM1	P35372	5/20	0.52

▸	NPY1R	P25929	1/20	0.51

▸	NPY2R	P49146	1/20	0.51

▸	NPY4R	P50391	1/20	0.51

▸	OPRK1	P41145	3/20	0.50

▸	CCKBR	P32239	2/20	0.49

▸	BACE1	P56817	1/20	0.48

▸	BACE2	Q9Y5Z0	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
SCHEMBL29443515	0.89	OPRK1 (0.51)	OPRD1OPRM1OPRK1CCKBRBACE1
SCHEMBL29602182	0.89	OPRK1 (0.51)	OPRD1OPRM1OPRK1CCKBRBACE1
SCHEMBL30898605	0.88	OPRD1 (0.62)	OPRD1OPRM1NPY1RNPY2RNPY4R
SCHEMBL29856025	0.86	TFPI (0.56)	OPRD1OPRM1OPRK1CCKBR
SCHEMBL29994086	0.86	OPRD1 (0.64)	OPRD1OPRM1OPRK1
SCHEMBL30898603	0.85	OPRD1 (0.68)	OPRD1OPRM1OPRK1
SCHEMBL29871876	0.85	OPRD1 (0.49)	OPRD1OPRM1OPRK1
SCHEMBL29883948	0.85	NPY4R (0.57)	NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL31257044	0.84	CCKBR (0.51)	OPRD1OPRM1NPY1RNPY2RNPY4R
SCHEMBL31614421	0.84	OPRD1 (0.57)	OPRD1OPRM1NPY1RNPY2RNPY4R

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
CN-116350760-A	Application of CTL epitope peptide derived from new antigen ESR1 or encoding nucleic acid thereof in preparation of medicines	郑州大学	2023-06-30	—	—	CN	disclosed