SCHEMBL30435444

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	7/20	0.67

▸	OPRM1	P35372	2/20	0.67

▸	OPRK1	P41145	2/20	0.67

▸	CALCR	P30988	4/20	0.65

▸	NPY2R	P49146	3/20	0.63

▸	NPY4R	P50391	3/20	0.63

▸	NPY5R	Q15761	3/20	0.63

▸	NPY1R	P25929	2/20	0.63

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
SCHEMBL30658236	0.92	CALCR (0.70)	OPRD1OPRM1OPRK1CALCRNPY2R
SCHEMBL31182878	0.92	CALCR (0.70)	OPRD1OPRM1OPRK1CALCRNPY2R
SCHEMBL11662997	0.92	CALCR (0.71)	OPRD1OPRM1OPRK1CALCRNPY2R
SCHEMBL30607331	0.91	NPY2R (0.69)	OPRD1OPRM1OPRK1CALCRNPY2R
SCHEMBL30358154	0.91	CALCR (0.64)	OPRD1OPRM1OPRK1CALCRNPY2R
SCHEMBL31230205	0.91	NPY2R (0.63)	OPRD1CALCRNPY2RNPY4RNPY5R
SCHEMBL30741227	0.91	OPRD1 (0.69)	OPRD1OPRM1OPRK1
SCHEMBL30567772	0.91	CALCR (0.74)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29903364	0.91	NPY2R (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30429255	0.91	CALCR (0.66)	OPRD1OPRM1OPRK1CALCRNPY2R

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-114395545-B	Sialidase for resisting helicobacter pylori colonization in stomach	成都欧林生物科技股份有限公司	2023-05-12	—	—	CN	disclosed