SCHEMBL31489038

CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	6/20	0.60

▸	C5AR1	P21730	2/20	0.59

▸	CXCR4	P61073	2/20	0.58

▸	IL23R	Q5VWK5	1/20	0.55

▸	EPHA2	P29317	2/20	0.54

▸	AGTR1	P30556	1/20	0.54

▸	AGTR2	P50052	1/20	0.54

▸	NPY1R	P25929	1/20	0.54

▸	NPY2R	P49146	1/20	0.54

▸	NPY4R	P50391	1/20	0.54

▸	NPY5R	Q15761	1/20	0.54

▸	DPP3	Q9NY33	4/20	0.54

▸	CTNNB1	P35222	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
SCHEMBL31488939	0.97	KISS1R (0.63)	KISS1RC5AR1CXCR4IL23REPHA2
SCHEMBL29426589	0.89	AGTR1 (0.60)	KISS1RAGTR1AGTR2DPP3
SCHEMBL29500468	0.89	C5AR1 (0.59)	KISS1RC5AR1CXCR4DPP3
SCHEMBL30978822	0.89	CXCR4 (0.60)	C5AR1CXCR4IL23RNPY1RNPY2R
SCHEMBL31402666	0.89	AGTR2 (0.61)	KISS1RAGTR1AGTR2DPP3
SCHEMBL29655888	0.88	CXCR4 (0.58)	KISS1RC5AR1CXCR4EPHA2AGTR1
SCHEMBL30598997	0.88	IL23R (0.62)	KISS1RC5AR1IL23REPHA2NPY1R
SCHEMBL30007711	0.88	KISS1R (0.62)	KISS1RC5AR1CXCR4DPP3
SCHEMBL30381557	0.88	KISS1R (0.59)	KISS1RC5AR1CXCR4IL23RNPY1R
SCHEMBL31430442	0.87	C5AR1 (0.62)	KISS1RC5AR1IL23REPHA2AGTR1

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-119462841-A	Covalent amino acid modified peptide of affinity PD-1 and application thereof	郑州大学	2025-02-18	—	—	CN	disclosed