SCHEMBL30974070

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

nearest known ligand 0.48

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.48

▸	OPRM1	P35372	2/20	0.46

▸	OPRD1	P41143	2/20	0.46

▸	F2	P00734	4/20	0.45

▸	CALCR	P30988	4/20	0.44

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
SCHEMBL30350809	0.88	CALCR (0.49)	C5AR1F2CALCR
SCHEMBL31005065	0.85	APLNR (0.55)	C5AR1F2CALCR
SCHEMBL31005058	0.82	CALCR (0.48)	C5AR1F2CALCR
SCHEMBL29446768	0.82	CALCR (0.58)	F2CALCR
SCHEMBL38662213	0.81	CALCR (0.60)	C5AR1F2CALCR
SCHEMBL30483842	0.80	CALCR (0.55)	C5AR1F2CALCR
SCHEMBL30123433	0.80	SLC6A2 (0.42)	OPRM1OPRD1
SCHEMBL31276246	0.80	F2 (0.54)	C5AR1F2CALCR
SCHEMBL30974083	0.80	OPRM1 (0.42)	C5AR1OPRM1OPRD1F2
SCHEMBL30973952	0.79	CALCRL (0.53)	F2

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