SCHEMBL30659920

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	GRIN2D	O15399	1/20	0.59

▸	GRIN3B	O60391	1/20	0.59

▸	GRIN1	Q05586	1/20	0.59

▸	GRIN2A	Q12879	1/20	0.59

▸	GRIN2B	Q13224	1/20	0.59

▸	GRIN2C	Q14957	1/20	0.59

▸	GRIN3A	Q8TCU5	1/20	0.59

▸	PTH1R	Q03431	2/20	0.48

▸	TASP1	Q9H6P5	1/20	0.47

▸	TFPI	P10646	1/20	0.47

▸	CALCR	P30988	4/20	0.47

▸	GLP1R	P43220	2/20	0.46

▸	VIPR1	P32241	1/20	0.45

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
SCHEMBL12696379	0.94	GRIN2D (0.56)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30659895	0.93	GRIN2D (0.54)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30262156	0.89	GRIN2D (0.58)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30631961	0.89	GLP1R (0.54)	CALCRGLP1RVIPR1
SCHEMBL29777878	0.87	GRIN2D (0.55)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30207388	0.87	OPRM1 (0.43)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL34472573	0.86	GRIN2D (0.59)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29988328	0.86	GRIN2D (0.59)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31514347	0.86	GRIN2D (0.59)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29986050	0.86	GRIN2D (0.59)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-116925193-A	Method for synthesizing polypeptide for preventing or treating novel coronavirus	深圳翰宇药业股份有限公司	2023-10-24	—	—	CN	disclosed