SCHEMBL31031566

C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	3/20	0.52

▸	OPRD1	P41143	4/20	0.51

▸	OPRM1	P35372	1/20	0.51

▸	F2	P00734	1/20	0.49

▸	SLC6A2	P23975	1/20	0.49

▸	CALCR	P30988	2/20	0.48

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
SCHEMBL31034420	0.89	NPY2R (0.55)	CALCR
SCHEMBL31031551	0.85	APLNR (0.59)	OPRM1
SCHEMBL31031557	0.84	APLNR (0.56)	OPRM1CALCR
SCHEMBL29463778	0.83	NPY2R (0.61)	OPRD1OPRM1CALCR
SCHEMBL29463786	0.83	NPY2R (0.61)	OPRD1OPRM1CALCR
SCHEMBL30906367	0.83	OPRD1 (0.54)	OPRD1OPRM1CALCR
SCHEMBL30726640	0.82	CALCRL (0.56)	CALCRLOPRD1OPRM1CALCR
SCHEMBL30631502	0.82	OPRD1 (0.59)	OPRD1OPRM1F2
SCHEMBL30906362	0.82	KEAP1 (0.57)	OPRD1OPRM1F2CALCR
SCHEMBL29822526	0.82	CALCRL (0.56)	CALCRLOPRD1OPRM1SLC6A2CALCR

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-2024132725-A1	SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE	UNIWERSYTET GDANSKI (PL)	2024-06-27	—	—	WO	disclosed