SCHEMBL31519858

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)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](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O

nearest known ligand 0.72

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	9/20	0.72

▸	CXCR4	P61073	4/20	0.68

▸	NPY1R	P25929	1/20	0.64

▸	NPY2R	P49146	1/20	0.64

▸	NPY4R	P50391	1/20	0.64

▸	NPY5R	Q15761	1/20	0.64

▸	GLP1R	P43220	3/20	0.63

▸	CCKBR	P32239	2/20	0.62

▸	C5AR1	P21730	1/20	0.61

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
SCHEMBL31519866	1.00	IL23R (0.72)	IL23RCXCR4NPY1RNPY2RNPY4R
SCHEMBL30449873	0.93	IL23R (0.67)	IL23RCXCR4NPY1RNPY2RNPY4R
SCHEMBL30618038	0.92	IL23R (0.67)	IL23RCXCR4NPY1RNPY2RNPY4R
SCHEMBL30712789	0.91	IL23R (0.69)	IL23RCXCR4NPY1RNPY2RNPY4R
SCHEMBL30391227	0.91	CXCR4 (0.69)	IL23RCXCR4NPY1RNPY2RNPY4R
SCHEMBL30392847	0.90	CXCR4 (0.67)	IL23RCXCR4NPY1RNPY2RNPY4R
SCHEMBL30494418	0.90	NPY2R (0.67)	IL23RCXCR4NPY1RNPY2RNPY4R
SCHEMBL29949399	0.89	NPY2R (0.73)	IL23RCXCR4NPY1RNPY2RNPY4R
SCHEMBL30824296	0.89	NPY2R (0.74)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30887982	0.89	NPY1R (0.70)	IL23RCXCR4NPY1RNPY2RNPY4R

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-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