SCHEMBL30974397

C[C@@H](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](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	10/20	0.59

▸	C5AR1	P21730	1/20	0.54

▸	PRMT1	Q99873	1/20	0.54

▸	CALCA	P06881	2/20	0.53

▸	NPY1R	P25929	1/20	0.52

▸	NPY2R	P49146	1/20	0.52

▸	NPY4R	P50391	1/20	0.52

▸	NPY5R	Q15761	1/20	0.52

▸	GLP1R	P43220	3/20	0.50

▸	GCGR	P47871	3/20	0.50

▸	IL23R	Q5VWK5	1/20	0.50

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
SCHEMBL30974589	0.97	CXCR4 (0.58)	CXCR4C5AR1PRMT1CALCANPY1R
SCHEMBL30974626	0.97	CXCR4 (0.60)	CXCR4C5AR1PRMT1CALCANPY1R
SCHEMBL30974375	0.95	CXCR4 (0.58)	CXCR4C5AR1PRMT1CALCANPY1R
SCHEMBL30974340	0.95	CXCR4 (0.59)	CXCR4C5AR1PRMT1CALCANPY1R
SCHEMBL30974222	0.92	CXCR4 (0.65)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30974492	0.92	CXCR4 (0.65)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30974241	0.89	RAMP3 (0.49)	CXCR4
SCHEMBL30974447	0.88	CXCR4 (0.65)	CXCR4C5AR1CALCANPY1RNPY2R
SCHEMBL30974223	0.88	RAMP3 (0.49)	CXCR4
SCHEMBL30974187	0.87	RAMP3 (0.48)	CXCR4

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-2024132726-A1	SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE	UNIWERSYTET GDANSKI (PL)	2024-06-27	—	—	WO	disclosed