SCHEMBL29374717

CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)O)[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.54

▸	OPRM1	P35372	2/20	0.52

▸	OPRD1	P41143	2/20	0.52

▸	OPRK1	P41145	2/20	0.52

▸	CALCRL	Q16602	1/20	0.50

▸	IL23R	Q5VWK5	1/20	0.50

▸	NPY2R	P49146	4/20	0.50

▸	NPY4R	P50391	4/20	0.50

▸	NPY5R	Q15761	4/20	0.50

▸	NPY1R	P25929	3/20	0.50

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
SCHEMBL31000879	0.87	CALCRL (0.60)	CALCROPRM1OPRD1OPRK1CALCRL
SCHEMBL30277946	0.86	CALCR (0.60)	CALCRCALCRL
SCHEMBL24483652	0.85	OPRM1 (0.54)	CALCROPRM1OPRD1OPRK1CALCRL
SCHEMBL30163405	0.84	OPRM1 (0.56)	CALCROPRM1OPRD1OPRK1
SCHEMBL30607374	0.84	CALCR (0.58)	CALCROPRM1OPRD1OPRK1NPY2R
SCHEMBL30906428	0.84	EPHA2 (0.59)	CALCRIL23RNPY2RNPY4RNPY5R
SCHEMBL30726592	0.84	CALCR (0.62)	CALCRCALCRLNPY2RNPY4RNPY5R
SCHEMBL31000906	0.84	CALCR (0.59)	CALCROPRD1CALCRL
SCHEMBL14549930	0.83	OPRM1 (0.55)	CALCROPRM1OPRD1OPRK1
SCHEMBL15130591	0.83	OPRM1 (0.55)	CALCROPRM1OPRD1OPRK1

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-114009789-A	Food for improving cardiovascular and cerebrovascular diseases and preparation process thereof	刘严峰	2022-02-08	—	—	CN	disclosed