SCHEMBL30392369

N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.66

▸	CXCR4	P61073	9/20	0.65

▸	IL23R	Q5VWK5	2/20	0.62

▸	MC4R	P32245	2/20	0.61

▸	MC5R	P33032	2/20	0.61

▸	MC3R	P41968	2/20	0.61

▸	MC1R	Q01726	2/20	0.61

▸	NPY1R	P25929	1/20	0.60

▸	NPY2R	P49146	1/20	0.60

▸	NPY4R	P50391	1/20	0.60

▸	NPY5R	Q15761	1/20	0.60

▸	NMUR2	Q9GZQ4	3/20	0.59

▸	NMUR1	Q9HB89	3/20	0.59

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
SCHEMBL30392847	0.97	CXCR4 (0.67)	C5AR1CXCR4IL23RMC4RMC5R
SCHEMBL30391227	0.95	CXCR4 (0.69)	C5AR1CXCR4IL23RMC4RMC5R
SCHEMBL29379177	0.89	KISS1R (0.67)	CXCR4NMUR2NMUR1
SCHEMBL31519866	0.89	IL23R (0.72)	C5AR1CXCR4IL23RNPY1RNPY2R
SCHEMBL31519858	0.89	IL23R (0.72)	C5AR1CXCR4IL23RNPY1RNPY2R
SCHEMBL30518167	0.87	C5AR1 (0.69)	C5AR1CXCR4IL23RMC4RMC5R
SCHEMBL31182610	0.86	NPY2R (0.75)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31694509	0.86	C5AR1 (0.73)	C5AR1CXCR4MC4RMC5RMC3R
Dynorphin A (1-17) SCHEMBL31331988	0.86	NPY1R (0.68)	C5AR1CXCR4IL23RNPY1RNPY2R
SCHEMBL30571131	0.85	C5AR1 (0.59)	C5AR1

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-116063397-B	Polypeptide targeting HER2 protein and application thereof in preparation of polypeptide coupling medicament	中国药科大学	2025-05-02	—	—	CN	claimed
CN-116063397-A	Polypeptide targeting HER2 protein and application thereof in preparation of polypeptide coupling medicament	中国药科大学	2023-05-05	—	—	CN	claimed