SCHEMBL30262157

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

nearest known ligand 0.51

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	GRIN2D	O15399	1/20	0.51

▸	GRIN3B	O60391	1/20	0.51

▸	GRIN1	Q05586	1/20	0.51

▸	GRIN2A	Q12879	1/20	0.51

▸	GRIN2B	Q13224	1/20	0.51

▸	GRIN2C	Q14957	1/20	0.51

▸	GRIN3A	Q8TCU5	1/20	0.51

▸	BACE1	P56817	2/20	0.49

▸	GLP1R	P43220	4/20	0.47

▸	RXFP1	Q9HBX9	2/20	0.46

▸	TFPI	P10646	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
SCHEMBL29378778	0.90	GLP1R (0.52)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30576940	0.90	RXFP1 (0.55)	GLP1RRXFP1TFPI
SCHEMBL29777878	0.89	GRIN2D (0.55)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30608546	0.88	GLP1R (0.51)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30432243	0.88	GRIN2D (0.54)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30570971	0.87	GRIN2D (0.55)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30170480	0.87	BACE1 (0.55)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31299908	0.86	TFPI (0.46)	BACE1TFPI
SCHEMBL30567745	0.86	BACE1 (0.47)	BACE1GLP1RRXFP1
SCHEMBL30438120	0.86	TASP1 (0.45)	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
US-20230040544-A1	COMPOSITIONS AND METHODS FOR RESTORING AND MAINTAINING THE DYSTROPHIN-ASSOCIATED PROTEIN COMPLEX (DAPC)	SAREPTA THERAPEUTICS, INC.	2023-02-09	—	—	US	disclosed