SCHEMBL30262011

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

nearest known ligand 0.53

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	TASP1	Q9H6P5	1/20	0.53

▸	BACE1	P56817	7/20	0.51

▸	GRIN2D	O15399	1/20	0.48

▸	GRIN3B	O60391	1/20	0.48

▸	GRIN1	Q05586	1/20	0.48

▸	GRIN2A	Q12879	1/20	0.48

▸	GRIN2B	Q13224	1/20	0.48

▸	GRIN2C	Q14957	1/20	0.48

▸	GRIN3A	Q8TCU5	1/20	0.48

▸	ENPEP	Q07075	5/20	0.45

▸	PTH1R	Q03431	3/20	0.45

▸	CTSD	P07339	2/20	0.43

▸	BACE2	Q9Y5Z0	1/20	0.42

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
SCHEMBL30448853	0.91	BACE1 (0.55)	TASP1BACE1GRIN2DGRIN3BGRIN1
SCHEMBL30433047	0.90	BACE1 (0.59)	TASP1BACE1GRIN2DGRIN3BGRIN1
SCHEMBL30980374	0.89	BACE1 (0.54)	TASP1BACE1PTH1RCTSDBACE2
SCHEMBL30512767	0.87	BACE1 (0.53)	TASP1BACE1GRIN2DGRIN3BGRIN1
SCHEMBL30633117	0.87	TASP1 (0.51)	TASP1BACE1GRIN2DGRIN3BGRIN1
SCHEMBL31666003	0.86	BACE1 (0.45)	TASP1BACE1GRIN2DGRIN3BGRIN1
SCHEMBL31666002	0.85	BACE1 (0.45)	TASP1BACE1GRIN2DGRIN3BGRIN1
SCHEMBL26374211	0.84	RXFP1 (0.48)	TASP1BACE1GRIN2DGRIN3BGRIN1
SCHEMBL26374203	0.84	RXFP1 (0.48)	TASP1BACE1GRIN2DGRIN3BGRIN1
SCHEMBL31554824	0.83	GRIN2D (0.48)	BACE1GRIN2DGRIN3BGRIN1GRIN2A

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