SCHEMBL30978823

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

nearest known ligand 0.58

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.58

▸	CALCR	P30988	9/20	0.53

▸	NMBR	P28336	2/20	0.51

▸	GRPR	P30550	2/20	0.51

▸	HCRTR1	O43613	1/20	0.50

▸	HCRTR2	O43614	1/20	0.50

▸	MC4R	P32245	1/20	0.48

▸	RAMP3	O60896	5/20	0.48

▸	CRHR1	P34998	1/20	0.48

▸	CRHR2	Q13324	1/20	0.48

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
SCHEMBL30898604	0.94	F2 (0.58)	F2CALCRMC4RRAMP3
SCHEMBL30658564	0.89	F2 (0.58)	F2CALCRNMBRGRPRHCRTR1
SCHEMBL29674857	0.88	F2 (0.52)	F2CALCRCRHR1CRHR2
SCHEMBL29865880	0.88	CALCR (0.57)	F2CALCRNMBRGRPRHCRTR1
SCHEMBL31453820	0.87	F2 (0.55)	F2CALCRNMBRGRPRHCRTR1
SCHEMBL30978825	0.87	BACE1 (0.50)	F2CALCRRAMP3
SCHEMBL30723555	0.87	F2 (0.56)	F2CALCRRAMP3
SCHEMBL31031589	0.86	F2 (0.61)	F2CALCRHCRTR1HCRTR2MC4R
SCHEMBL29446768	0.85	CALCR (0.58)	F2CALCRNMBRGRPRRAMP3
SCHEMBL31453812	0.85	F2 (0.67)	F2CALCRNMBRGRPRHCRTR1

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-118063583-A	Casein antibacterial peptide or composition and application thereof	中国科学院大连化学物理研究所	2024-05-24	—	—	CN	disclosed