SCHEMBL29453930

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

nearest known ligand 0.60

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	2/20	0.60

▸	KEAP1	Q14145	1/20	0.56

▸	CALCR	P30988	8/20	0.53

▸	GLP1R	P43220	4/20	0.51

▸	RAMP3	O60896	5/20	0.51

▸	CTSL	P07711	2/20	0.51

▸	CTSS	P25774	2/20	0.51

▸	CTSK	P43235	2/20	0.51

▸	CTSH	P09668	1/20	0.51

▸	C5AR1	P21730	1/20	0.50

▸	PLK1	P53350	1/20	0.50

▸	GCGR	P47871	3/20	0.50

▸	GIPR	P48546	3/20	0.50

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
SCHEMBL30511758	0.91	CALCR (0.58)	APLNRKEAP1CALCRGLP1RCTSL
SCHEMBL29933838	0.89	APLNR (0.60)	APLNRCALCRRAMP3CTSLCTSS
SCHEMBL30567004	0.89	CALCR (0.61)	APLNRKEAP1CALCRGLP1RCTSL
SCHEMBL31362670	0.89	APLNR (0.58)	APLNRCTSLCTSSCTSKCTSH
SCHEMBL10492942	0.88	CALCR (0.64)	KEAP1CALCRGLP1RGCGRGIPR
SCHEMBL31005065	0.87	APLNR (0.55)	APLNRKEAP1CALCRRAMP3C5AR1
SCHEMBL30512749	0.87	NPY2R (0.55)	APLNRCALCRC5AR1
SCHEMBL29374929	0.86	APLNR (0.61)	APLNRCALCRGLP1RCTSLCTSS
SCHEMBL30607293	0.86	APLNR (0.59)	APLNRKEAP1CALCRRAMP3CTSL
SCHEMBL30262103	0.86	F2 (0.60)	CALCRRAMP3

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-11254717-B2	Antimicrobial peptide Sparamosin from Scylla paramamosain and application thereof	XIAMEN UNIVERSITY (CN)	2022-02-22	—	—	US	disclosed