SCHEMBL30974124

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	2/20	0.60

▸	CALCRL	Q16602	4/20	0.58

▸	RAMP1	O60894	1/20	0.58

▸	EP300	Q09472	1/20	0.58

▸	HIF1A	Q16665	1/20	0.58

▸	NPY2R	P49146	7/20	0.56

▸	NPY4R	P50391	7/20	0.56

▸	NPY5R	Q15761	7/20	0.56

▸	NPY1R	P25929	5/20	0.56

▸	TFPI	P10646	2/20	0.56

▸	RAMP3	O60896	1/20	0.55

▸	CALCR	P30988	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
SCHEMBL30974093	0.96	EPHA2 (0.60)	EPHA2CALCRLRAMP1TFPIRAMP3
SCHEMBL31005074	0.95	EP300 (0.61)	EPHA2CALCRLRAMP1EP300HIF1A
SCHEMBL30974488	0.95	EP300 (0.61)	EPHA2CALCRLRAMP1EP300HIF1A
SCHEMBL30973990	0.95	EPHA2 (0.60)	EPHA2CALCRLRAMP1NPY2RNPY4R
SCHEMBL30974050	0.91	EPHA2 (0.58)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30974204	0.91	EPHA2 (0.57)	EPHA2CALCRLRAMP1EP300HIF1A
SCHEMBL31005053	0.91	EPHA2 (0.57)	EPHA2CALCRLRAMP1EP300HIF1A
SCHEMBL30974536	0.91	NPY2R (0.58)	EPHA2CALCRLRAMP1EP300HIF1A
SCHEMBL30974506	0.91	NPY2R (0.58)	EPHA2CALCRLRAMP1EP300HIF1A
SCHEMBL30495657	0.89	EPHA2 (0.63)	EPHA2EP300HIF1ANPY2RNPY4R

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 2 patents. 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
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