SCHEMBL30974039

C[C@@H](O)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.55

▸	F2	P00734	4/20	0.54

▸	CRHR1	P34998	1/20	0.53

▸	CRHR2	Q13324	1/20	0.53

▸	C5AR1	P21730	2/20	0.51

▸	MC4R	P32245	1/20	0.49

▸	OPRM1	P35372	1/20	0.49

▸	OPRD1	P41143	1/20	0.49

▸	OPRK1	P41145	1/20	0.49

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
SCHEMBL30974049	0.93	CALCR (0.50)	CALCRF2CRHR1CRHR2
SCHEMBL31721983	0.87	CALCR (0.50)	CALCRF2CRHR1CRHR2C5AR1
SCHEMBL29460685	0.86	CALCR (0.61)	CALCRF2CRHR1CRHR2MC4R
SCHEMBL30423662	0.86	CALCR (0.62)	CALCRF2CRHR1CRHR2C5AR1
SCHEMBL31031466	0.86	C5AR1 (0.46)	F2C5AR1MC4ROPRM1OPRD1
SCHEMBL29530620	0.86	CRHR1 (0.49)	CALCRF2CRHR1CRHR2C5AR1
SCHEMBL30431276	0.85	CALCR (0.64)	CALCRF2CRHR1CRHR2
SCHEMBL29662207	0.85	CALCR (0.52)	CALCRF2CRHR1CRHR2MC4R
SCHEMBL31000937	0.85	F2 (0.63)	CALCRF2CRHR1CRHR2MC4R
SCHEMBL30176473	0.85	CALCR (0.64)	CALCRF2CRHR1CRHR2C5AR1

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