SCHEMBL31074339

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

nearest known ligand 0.59

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	8/20	0.53

▸	OPRD1	P41143	5/20	0.52

▸	NTSR2	O95665	4/20	0.51

▸	KEAP1	Q14145	1/20	0.51

▸	SORT1	Q99523	2/20	0.50

▸	F2	P00734	1/20	0.49

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
SCHEMBL30969027	0.92	KEAP1 (0.50)	NTSR1OPRD1NTSR2KEAP1
SCHEMBL30968999	0.89	KEAP1 (0.49)	NTSR1OPRD1NTSR2KEAP1
SCHEMBL30906472	0.88	EP300 (0.54)	OPRD1
SCHEMBL31516410	0.87	NTSR1 (0.55)	NTSR1NTSR2SORT1F2
SCHEMBL29708267	0.86	CALCR (0.53)	NTSR1NTSR2SORT1
SCHEMBL30512533	0.85	NTSR1 (0.52)	NTSR1OPRD1NTSR2SORT1
SCHEMBL30261947	0.85	MAPK8 (0.47)	F2
SCHEMBL30242243	0.85	CXCR4 (0.53)	OPRD1KEAP1
SCHEMBL30512495	0.85	NTSR1 (0.55)	NTSR1NTSR2SORT1
SCHEMBL30930135	0.85	RAMP3 (0.52)	KEAP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2024171492-A1	ANTI-OBESITY COMPOSITION	森永乳業株式会社	2024-08-22	—	—	WO	claimed
WO-2024171492-A1	ANTI-OBESITY COMPOSITION	森永乳業株式会社	2024-08-22	—	—	WO	disclosed
WO-2024171492-A1	ANTI-OBESITY COMPOSITION	森永乳業株式会社	2024-08-22	—	—	WO	disclosed