SCHEMBL30974107

C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	14/20	0.59

▸	PRMT1	Q99873	1/20	0.57

▸	C5AR1	P21730	1/20	0.54

▸	NPY1R	P25929	1/20	0.52

▸	NPY2R	P49146	1/20	0.52

▸	NPY4R	P50391	1/20	0.52

▸	NPY5R	Q15761	1/20	0.52

▸	CAPN1	P07384	2/20	0.50

▸	CTSB	P07858	2/20	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
SCHEMBL30974269	0.95	CXCR4 (0.57)	CXCR4PRMT1C5AR1NPY1RNPY2R
SCHEMBL30974523	0.94	CXCR4 (0.57)	CXCR4PRMT1C5AR1NPY1RNPY2R
SCHEMBL30973986	0.92	CXCR4 (0.60)	CXCR4PRMT1C5AR1NPY1RNPY2R
SCHEMBL30974490	0.89	CXCR4 (0.58)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30974005	0.87	PRMT1 (0.63)	PRMT1
SCHEMBL30974422	0.86	PRMT1 (0.65)	PRMT1
SCHEMBL18642508	0.85	CXCR4 (0.64)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL20493787	0.85	CXCR4 (0.64)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL9728122	0.84	CAPN1 (0.64)	CXCR4PRMT1C5AR1CAPN1CTSB
SCHEMBL30567758	0.84	NPY1R (0.68)	NPY1RNPY2RNPY4RNPY5R

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	claimed