SCHEMBL30262124

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.59

▸	KDM1A	O60341	3/20	0.57

▸	CALCR	P30988	4/20	0.56

▸	GHSR	Q92847	2/20	0.55

▸	APLNR	P35414	1/20	0.54

▸	REN	P00797	5/20	0.54

▸	MAOB	P27338	1/20	0.52

▸	KDM5A	P29375	1/20	0.52

▸	KDM1B	Q8NB78	1/20	0.52

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
SCHEMBL30817830	0.88	REN (0.56)	F2APLNRREN
SCHEMBL31182803	0.87	CALCR (0.71)	F2KDM1ACALCR
SCHEMBL30436859	0.86	CALCR (0.61)	F2CALCRREN
SCHEMBL30431687	0.85	F2 (0.64)	F2CALCR
SCHEMBL30804664	0.84	CALCR (0.55)	KDM1ACALCRREN
SCHEMBL29630353	0.83	F2 (0.55)	F2GHSRAPLNR
Hemopressin SCHEMBL29393495	0.83	KDM1A (0.51)	F2KDM1ACALCRGHSRREN
SCHEMBL30974276	0.83	F2 (0.61)	F2CALCRAPLNR
SCHEMBL30368211	0.83	GHSR (0.48)	GHSRREN
SCHEMBL30272496	0.83	KDM1A (0.48)	F2KDM1ARENMAOBKDM5A

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