SCHEMBL30565140

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCSC)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.68

▸	APLNR	P35414	2/20	0.64

▸	GLP1R	P43220	9/20	0.63

▸	CRHR1	P34998	1/20	0.62

▸	CRHR2	Q13324	1/20	0.62

▸	KEAP1	Q14145	1/20	0.62

▸	GCGR	P47871	8/20	0.61

▸	GIPR	P48546	5/20	0.61

▸	C5AR1	P21730	1/20	0.60

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
SCHEMBL30565138	1.00	CALCR (0.68)	CALCRAPLNRGLP1RCRHR1CRHR2
SCHEMBL30358206	0.94	CALCR (0.70)	CALCRAPLNRGLP1RCRHR1CRHR2
SCHEMBL30884870	0.93	CALCR (0.75)	CALCRGLP1RCRHR1CRHR2KEAP1
SCHEMBL12123519	0.92	CALCR (0.65)	CALCRAPLNRGLP1RCRHR1CRHR2
SCHEMBL31745603	0.92	CALCR (0.72)	CALCRGLP1RCRHR1CRHR2KEAP1
SCHEMBL31182535	0.91	CALCR (0.72)	CALCRGLP1RCRHR1CRHR2KEAP1
SCHEMBL29949373	0.91	CALCR (0.70)	CALCRAPLNRGLP1RCRHR1CRHR2
SCHEMBL31182700	0.91	CALCR (0.68)	CALCRAPLNRGLP1RCRHR1CRHR2
SCHEMBL31182551	0.91	CALCR (0.68)	CALCRAPLNRGLP1RCRHR1CRHR2
SCHEMBL31182500	0.91	CALCR (0.72)	CALCRAPLNRGLP1RCRHR1CRHR2

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
CN-116693649-A	Abalone source reconstruction antibacterial peptide AB-1 and preparation and application thereof	福州大学	2023-09-05	—	—	CN	disclosed