SCHEMBL30565137

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.76

▸	CRHR1	P34998	1/20	0.70

▸	CRHR2	Q13324	1/20	0.70

▸	RAMP1	O60894	1/20	0.67

▸	RAMP2	O60895	1/20	0.67

▸	RAMP3	O60896	1/20	0.67

▸	CALCRL	Q16602	1/20	0.67

▸	GLP1R	P43220	4/20	0.66

▸	GCGR	P47871	3/20	0.66

▸	NPY2R	P49146	7/20	0.63

▸	NPY4R	P50391	7/20	0.63

▸	NPY5R	Q15761	7/20	0.63

▸	NPY1R	P25929	5/20	0.63

▸	KEAP1	Q14145	1/20	0.63

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
SCHEMBL29462637	0.95	CALCR (0.79)	CALCRCRHR1CRHR2RAMP1RAMP2
SCHEMBL30932066	0.94	CALCR (0.77)	CALCRCRHR1CRHR2RAMP1RAMP2
SCHEMBL30658283	0.92	CALCR (0.74)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30432882	0.92	CALCR (0.67)	CALCRCRHR1CRHR2RAMP1RAMP2
SCHEMBL29767063	0.92	CALCR (0.79)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL31146727	0.92	CALCR (0.74)	CALCRGLP1RGCGRNPY2RNPY4R
SCHEMBL30423615	0.92	CALCR (0.74)	CALCRCRHR1CRHR2RAMP1RAMP2
SCHEMBL30658211	0.92	CALCR (0.71)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30495828	0.92	CALCR (0.74)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL31745603	0.91	CALCR (0.72)	CALCRCRHR1CRHR2GLP1RGCGR

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