SCHEMBL30974285

CC(C)[C@H](N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	2/20	0.45

▸	NPY2R	P49146	7/20	0.43

▸	NPY4R	P50391	7/20	0.43

▸	NPY5R	Q15761	7/20	0.43

▸	NPY1R	P25929	5/20	0.43

▸	CALCRL	Q16602	3/20	0.41

▸	RAMP3	O60896	5/20	0.41

▸	CALCR	P30988	5/20	0.41

▸	OPRM1	P35372	1/20	0.41

▸	OPRD1	P41143	1/20	0.41

▸	XIAP	P98170	1/20	0.40

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
SCHEMBL30973993	0.91	BACE1 (0.47)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30974485	0.89	CAPN1 (0.45)	CAPN1CALCRLOPRM1OPRD1XIAP
SCHEMBL30973966	0.89	CAPN1 (0.46)	CAPN1OPRM1OPRD1XIAP
SCHEMBL30974378	0.87	RAMP3 (0.56)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30534201	0.83	OPRD1 (0.45)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL31319518	0.83	KEAP1 (0.48)	NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL31130578	0.82	CAPN1 (0.41)	CAPN1CALCRLRAMP3CALCROPRM1
SCHEMBL30102222	0.82	CAPN1 (0.44)	CAPN1CALCRLOPRM1OPRD1XIAP
SCHEMBL30997416	0.81	RAMP3 (0.50)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL32671611	0.81	RAMP3 (0.42)	CAPN1CALCRLRAMP3CALCR

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