SCHEMBL31488939

CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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 0.63

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	6/20	0.63

▸	C5AR1	P21730	2/20	0.62

▸	EPHA2	P29317	2/20	0.59

▸	IL23R	Q5VWK5	1/20	0.57

▸	AGTR1	P30556	1/20	0.57

▸	AGTR2	P50052	1/20	0.57

▸	NPY1R	P25929	1/20	0.56

▸	NPY2R	P49146	1/20	0.56

▸	NPY4R	P50391	1/20	0.56

▸	NPY5R	Q15761	1/20	0.56

▸	CXCR4	P61073	4/20	0.55

▸	CXCL8	P10145	2/20	0.54

▸	MC4R	P32245	1/20	0.54

▸	MC5R	P33032	1/20	0.54

▸	MC3R	P41968	1/20	0.54

▸	MC1R	Q01726	1/20	0.54

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
SCHEMBL31489038	0.97	KISS1R (0.60)	KISS1RC5AR1EPHA2IL23RAGTR1
SCHEMBL29426589	0.93	AGTR1 (0.60)	KISS1RAGTR1AGTR2CXCL8
SCHEMBL31402666	0.92	AGTR2 (0.61)	KISS1RAGTR1AGTR2
SCHEMBL30598997	0.90	IL23R (0.62)	KISS1RC5AR1EPHA2IL23RNPY1R
SCHEMBL31430442	0.90	C5AR1 (0.62)	KISS1RC5AR1EPHA2IL23RAGTR1
SCHEMBL31402672	0.89	KISS1R (0.63)	KISS1R
SCHEMBL34470137	0.89	KISS1R (0.67)	KISS1RC5AR1IL23RNPY1RNPY2R
SCHEMBL30092475	0.89	IL23R (0.58)	KISS1RC5AR1EPHA2IL23RAGTR1
SCHEMBL29982420	0.89	IL23R (0.58)	KISS1RC5AR1EPHA2IL23RAGTR1
SCHEMBL5710723	0.88	CXCR4 (0.66)	KISS1RC5AR1IL23RNPY1RNPY2R

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