SCHEMBL30480905

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	PTH1R	Q03431	2/20	0.56

▸	NPBWR1	P48145	4/20	0.55

▸	KISS1R	Q969F8	9/20	0.55

▸	IL23R	Q5VWK5	2/20	0.54

▸	GHSR	Q92847	1/20	0.54

▸	KEAP1	Q14145	1/20	0.53

▸	RXFP1	Q9HBX9	1/20	0.53

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
SCHEMBL29493518	0.97	PTH1R (0.56)	PTH1RNPBWR1KISS1RIL23RGHSR
SCHEMBL30629650	0.95	PTH1R (0.56)	PTH1RNPBWR1KISS1RIL23RGHSR
SCHEMBL30052890	0.93	KISS1R (0.60)	PTH1RNPBWR1KISS1RIL23RRXFP1
SCHEMBL30092976	0.93	RXFP1 (0.57)	PTH1RNPBWR1KISS1RIL23RRXFP1
SCHEMBL30093140	0.93	RXFP1 (0.57)	PTH1RNPBWR1KISS1RIL23RRXFP1
SCHEMBL30092924	0.93	RXFP1 (0.57)	PTH1RNPBWR1KISS1RIL23RRXFP1
SCHEMBL30093112	0.93	RXFP1 (0.57)	PTH1RNPBWR1KISS1RIL23RRXFP1
SCHEMBL30093061	0.93	RXFP1 (0.57)	PTH1RNPBWR1KISS1RIL23RRXFP1
SCHEMBL31305350	0.92	EDNRA (0.56)	PTH1RNPBWR1KISS1RIL23RRXFP1
SCHEMBL30130534	0.92	PCSK9 (0.54)	PTH1RNPBWR1KISS1RIL23RGHSR

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-114409737-B	Novel antitumor peptide and application thereof	南阳师范学院	2023-04-25	—	—	CN	disclosed
CN-114409737-B	Novel antitumor peptide and application thereof	南阳师范学院	2023-04-25	—	—	CN	disclosed