SCHEMBL31005068

C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	6/20	0.60

▸	NPY2R	P49146	2/20	0.56

▸	NPY1R	P25929	1/20	0.56

▸	NPY4R	P50391	1/20	0.56

▸	NPY5R	Q15761	1/20	0.56

▸	IL23R	Q5VWK5	1/20	0.54

▸	CALCA	P06881	2/20	0.53

▸	C5AR1	P21730	1/20	0.53

▸	MAPK8	P45983	1/20	0.53

▸	MAPK9	P45984	1/20	0.53

▸	MAPK10	P53779	1/20	0.53

▸	GLP1R	P43220	4/20	0.51

▸	GCGR	P47871	4/20	0.51

▸	GIPR	P48546	1/20	0.51

▸	KEAP1	Q14145	1/20	0.51

▸	RAMP3	O60896	1/20	0.51

▸	CALCR	P30988	1/20	0.51

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
SCHEMBL30974510	0.95	CXCR4 (0.63)	CXCR4NPY2RNPY1RNPY4RNPY5R
SCHEMBL30974020	0.94	CXCR4 (0.61)	CXCR4NPY2RNPY1RNPY4RNPY5R
SCHEMBL30974492	0.92	CXCR4 (0.65)	CXCR4NPY2RNPY1RNPY4RNPY5R
SCHEMBL30974447	0.88	CXCR4 (0.65)	CXCR4NPY2RNPY1RNPY4RNPY5R
SCHEMBL30974375	0.88	CXCR4 (0.58)	CXCR4NPY2RNPY1RNPY4RNPY5R
SCHEMBL30974222	0.88	CXCR4 (0.65)	CXCR4NPY2RNPY1RNPY4RNPY5R
SCHEMBL30974340	0.88	CXCR4 (0.59)	CXCR4NPY2RNPY1RNPY4RNPY5R
SCHEMBL30974397	0.88	CXCR4 (0.59)	CXCR4NPY2RNPY1RNPY4RNPY5R
SCHEMBL30974412	0.87	CXCR4 (0.64)	CXCR4NPY2RNPY1RNPY4RNPY5R
SCHEMBL30974589	0.87	CXCR4 (0.58)	CXCR4NPY2RNPY1RNPY4RNPY5R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-4390399-B1	SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DAIGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE	UNIV GDANSKI (PL)	2025-07-16	—	—	EP	claimed
EP-4390399-A1	SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DAIGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE	Uniwersytet Gdanski (PL)	2024-06-26	—	—	EP	claimed
EP-4390399-B1	SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DAIGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE	UNIV GDANSKI (PL)	2025-07-16	—	—	EP	disclosed
EP-4390399-A1	SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DAIGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE	Uniwersytet Gdanski (PL)	2024-06-26	—	—	EP	disclosed