SCHEMBL30679585

CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	10/20	0.55

▸	RAMP3	O60896	6/20	0.52

▸	F2	P00734	4/20	0.52

▸	HCRTR1	O43613	1/20	0.52

▸	HCRTR2	O43614	1/20	0.52

▸	APLNR	P35414	1/20	0.49

▸	KEAP1	Q14145	1/20	0.48

▸	CCKBR	P32239	2/20	0.47

▸	GLP1R	P43220	2/20	0.47

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
SCHEMBL30538445	0.94	CALCR (0.61)	CALCRRAMP3APLNR
SCHEMBL30679582	0.94	CALCR (0.61)	CALCRRAMP3APLNR
SCHEMBL29966064	0.94	CALCR (0.61)	CALCRRAMP3APLNR
SCHEMBL29965820	0.90	CALCR (0.45)	CALCRF2HCRTR1HCRTR2GLP1R
SCHEMBL30538459	0.90	CALCR (0.45)	CALCRF2HCRTR1HCRTR2GLP1R
SCHEMBL30679581	0.90	CALCR (0.45)	CALCRF2HCRTR1HCRTR2GLP1R
SCHEMBL30679580	0.90	CALCR (0.44)	CALCRF2HCRTR1HCRTR2KEAP1
SCHEMBL30571127	0.86	CALCR (0.56)	CALCRF2HCRTR1HCRTR2KEAP1
SCHEMBL31182995	0.85	CALCR (0.63)	CALCRRAMP3F2HCRTR1HCRTR2
SCHEMBL30063039	0.85	RAMP3 (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
CN-117209564-A	Oligopeptide searching method, oligopeptide and modified peptide	日本瑞翁株式会社	2023-12-12	—	—	CN	disclosed