SCHEMBL31410847

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

nearest known ligand 0.66

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	10/20	0.66

▸	NPY1R	P25929	1/20	0.60

▸	NPY2R	P49146	1/20	0.60

▸	NPY4R	P50391	1/20	0.60

▸	NPY5R	Q15761	1/20	0.60

▸	CALCA	P06881	2/20	0.58

▸	IL23R	Q5VWK5	1/20	0.58

▸	KISS1R	Q969F8	2/20	0.56

▸	KEAP1	Q14145	1/20	0.55

▸	MAPK8	P45983	1/20	0.55

▸	MAPK9	P45984	1/20	0.55

▸	MAPK10	P53779	1/20	0.55

▸	C5AR1	P21730	1/20	0.55

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
SCHEMBL30974336	0.93	CXCR4 (0.69)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31307240	0.91	CXCR4 (0.68)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31657611	0.88	IL23R (0.66)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182712	0.88	NPY2R (0.69)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31105456	0.87	NPY2R (0.71)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30974317	0.87	DPP3 (0.58)	CXCR4KISS1R
SCHEMBL30974412	0.87	CXCR4 (0.64)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30495596	0.87	CXCR4 (0.68)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30974447	0.87	CXCR4 (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31452901	0.87	CXCR4 (0.67)	CXCR4NPY1RNPY2RNPY4RNPY5R

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
WO-2025002589-A1	TISSUE EXTRACELLULAR PEPTIDE PATTERNS DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST SALIVARY GLAND TUMOR, IDENTIFICATION AND ISOLATION OF SALIVARY GLAND TUMOR SPECIFIC T CELLS IN HUMANS	Uniwersytet Gdański (PL)	2025-01-02	—	—	WO	disclosed