SCHEMBL30262155

CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	GRB2	P62993	1/20	0.43

▸	CXCL8	P10145	8/20	0.43

▸	CTSL	P07711	2/20	0.42

▸	CTSS	P25774	2/20	0.42

▸	CTSK	P43235	2/20	0.42

▸	CTSH	P09668	1/20	0.42

▸	RAMP3	O60896	4/20	0.42

▸	CALCR	P30988	4/20	0.42

▸	F2	P00734	1/20	0.42

▸	NTSR1	P30989	1/20	0.41

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
SCHEMBL29914211	0.88	PTPN1 (0.48)	RAMP3CALCRNTSR1
SCHEMBL30591055	0.88	GRB2 (0.45)	GRB2F2NTSR1
SCHEMBL30512609	0.87	NTSR1 (0.44)	GRB2RAMP3CALCRF2NTSR1
SCHEMBL29590514	0.86	GRB2 (0.43)	GRB2NTSR1
SCHEMBL30075807	0.86	PTPN1 (0.47)	RAMP3CALCRF2NTSR1
SCHEMBL30830432	0.85	FNTA (0.44)	GRB2NTSR1
SCHEMBL30216522	0.85	XIAP (0.46)	GRB2
SCHEMBL30185040	0.84	GRB2 (0.45)	GRB2F2NTSR1
SCHEMBL29641718	0.84	GRB2 (0.51)	GRB2RAMP3CALCRF2NTSR1
SCHEMBL23572623	0.83	CXCL8 (0.48)	CXCL8CTSLCTSSCTSKCTSH

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