SCHEMBL30262010

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCSC)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	3/20	0.64

▸	CTSS	P25774	3/20	0.64

▸	CTSK	P43235	3/20	0.64

▸	CTSH	P09668	1/20	0.64

▸	C5AR1	P21730	2/20	0.62

▸	APLNR	P35414	2/20	0.61

▸	KEAP1	Q14145	1/20	0.60

▸	GLP1R	P43220	9/20	0.58

▸	GCGR	P47871	8/20	0.58

▸	GIPR	P48546	5/20	0.57

▸	NPY1R	P25929	1/20	0.56

▸	NPY2R	P49146	1/20	0.56

▸	NPY4R	P50391	1/20	0.56

▸	NPY5R	Q15761	1/20	0.56

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
SCHEMBL30894433	0.93	APLNR (0.60)	CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30717268	0.92	C5AR1 (0.65)	C5AR1APLNRKEAP1GLP1RGCGR
SCHEMBL31182480	0.91	C5AR1 (0.64)	CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30631666	0.91	CTSL (0.62)	CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30432727	0.90	APLNR (0.63)	CTSLCTSSCTSKCTSHC5AR1
SCHEMBL31544061	0.90	C5AR1 (0.73)	CTSLCTSSCTSKCTSHC5AR1
SCHEMBL31182802	0.89	KEAP1 (0.66)	CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30436302	0.88	GLP1R (0.67)	C5AR1KEAP1GLP1RGCGRNPY1R
SCHEMBL30487564	0.88	C5AR1 (0.71)	CTSLCTSSCTSKCTSHC5AR1
SCHEMBL29737187	0.87	C5AR1 (0.75)	C5AR1KEAP1GLP1RGCGRNPY1R

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