SCHEMBL30261994

CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.65

▸	CALCR	P30988	4/20	0.61

▸	CTSL	P07711	3/20	0.61

▸	CTSS	P25774	3/20	0.61

▸	CTSK	P43235	3/20	0.61

▸	CTSH	P09668	1/20	0.61

▸	GLP1R	P43220	4/20	0.58

▸	GCGR	P47871	3/20	0.58

▸	NPY2R	P49146	3/20	0.57

▸	NPY4R	P50391	3/20	0.57

▸	NPY5R	Q15761	3/20	0.57

▸	NPY1R	P25929	2/20	0.57

▸	APLNR	P35414	1/20	0.57

▸	MC4R	P32245	1/20	0.57

▸	MC5R	P33032	1/20	0.57

▸	MC3R	P41968	1/20	0.57

▸	MC1R	Q01726	1/20	0.57

▸	RAMP3	O60896	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
SCHEMBL29593954	0.92	C5AR1 (0.69)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL29593655	0.92	C5AR1 (0.69)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL29593115	0.92	C5AR1 (0.69)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL21318133	0.92	CALCR (0.62)	C5AR1CALCRCTSLCTSSCTSK
SCHEMBL31464910	0.90	CALCR (0.71)	C5AR1CALCRGLP1RGCGRNPY2R
SCHEMBL30565140	0.89	CALCR (0.68)	C5AR1CALCRGLP1RGCGRAPLNR
SCHEMBL30565138	0.89	CALCR (0.68)	C5AR1CALCRGLP1RGCGRAPLNR
SCHEMBL29638059	0.89	MC4R (0.61)	C5AR1CALCRCTSLCTSSCTSK
SCHEMBL29638066	0.89	MC4R (0.61)	C5AR1CALCRCTSLCTSSCTSK
SCHEMBL30432686	0.89	C5AR1 (0.66)	C5AR1CALCRNPY2RNPY4RNPY5R

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