SCHEMBL30262132

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	2/20	0.40

▸	BACE1	P56817	5/20	0.39

▸	EDNRA	P25101	1/20	0.39

▸	GRB2	P62993	1/20	0.39

▸	NTSR2	O95665	3/20	0.38

▸	NTSR1	P30989	3/20	0.38

▸	CALCR	P30988	4/20	0.38

▸	REN	P00797	1/20	0.38

▸	F2	P00734	1/20	0.37

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
SCHEMBL30262090	0.91	BACE1 (0.47)	BACE1CALCRF2
SCHEMBL29435292	0.88	BACE1 (0.51)	KISS1RBACE1F2
SCHEMBL30495730	0.87	BACE1 (0.41)	BACE1
SCHEMBL30512637	0.86	F2 (0.48)	BACE1CALCRF2
SCHEMBL29519856	0.86	BACE1 (0.39)	KISS1RBACE1EDNRANTSR2NTSR1
SCHEMBL29641501	0.83	CTSD (0.44)	BACE1EDNRANTSR2NTSR1REN
SCHEMBL29615161	0.83	ENPEP (0.41)	—
SCHEMBL34470345	0.83	MME (0.42)	—
SCHEMBL30066857	0.82	MME (0.47)	—
SCHEMBL29442611	0.82	MME (0.41)	—

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