SCHEMBL30262076

CSCC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.62

▸	CALCR	P30988	3/20	0.60

▸	GLP1R	P43220	8/20	0.58

▸	NMBR	P28336	2/20	0.58

▸	GRPR	P30550	2/20	0.58

▸	CXCR4	P61073	2/20	0.58

▸	GCGR	P47871	3/20	0.57

▸	APLNR	P35414	1/20	0.56

▸	CCKBR	P32239	4/20	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
SCHEMBL30261974	0.96	CALCR (0.63)	C5AR1CALCRGLP1RNMBRGRPR
SCHEMBL29599666	0.87	GLP1R (0.70)	C5AR1CALCRGLP1RNMBRGRPR
SCHEMBL31379433	0.87	NMBR (0.70)	C5AR1CALCRGLP1RNMBRGRPR
SCHEMBL30845539	0.86	C5AR1 (0.72)	C5AR1CALCRGLP1RNMBRGRPR
SCHEMBL31182680	0.85	GLP1R (0.74)	C5AR1CALCRGLP1RNMBRGRPR
SCHEMBL29382204	0.85	NMBR (0.68)	C5AR1CALCRGLP1RNMBRGRPR
SCHEMBL31182675	0.85	CALCR (0.65)	C5AR1CALCRGLP1RNMBRGRPR
SCHEMBL31452912	0.85	GLP1R (0.64)	C5AR1CALCRGLP1RCXCR4GCGR
SCHEMBL30432839	0.85	C5AR1 (0.64)	C5AR1CALCRGLP1RNMBRGRPR
SCHEMBL31295729	0.84	NMBR (0.63)	C5AR1CALCRGLP1RNMBRGRPR

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