SCHEMBL31031489

CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.59

▸	CRHR1	P34998	1/20	0.56

▸	CRHR2	Q13324	1/20	0.56

▸	KEAP1	Q14145	1/20	0.54

▸	OPRD1	P41143	4/20	0.54

▸	OPRM1	P35372	3/20	0.54

▸	OPRK1	P41145	2/20	0.54

▸	NPY2R	P49146	2/20	0.51

▸	NPY4R	P50391	2/20	0.51

▸	NPY5R	Q15761	2/20	0.51

▸	NPY1R	P25929	1/20	0.51

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
SCHEMBL31031539	0.96	CALCR (0.63)	CALCRCRHR1CRHR2KEAP1OPRD1
SCHEMBL31031545	0.95	CALCR (0.58)	CALCRCRHR1CRHR2KEAP1OPRD1
SCHEMBL31688352	0.88	OPRD1 (0.60)	KEAP1OPRD1OPRM1OPRK1
SCHEMBL30432528	0.88	CALCR (0.68)	CALCRCRHR1CRHR2KEAP1NPY2R
SCHEMBL30495633	0.87	CALCR (0.62)	CALCRCRHR1CRHR2KEAP1NPY2R
SCHEMBL29625266	0.87	OPRK1 (0.54)	OPRD1OPRM1OPRK1
SCHEMBL31688332	0.87	OPRM1 (0.61)	CALCRKEAP1OPRD1OPRM1OPRK1
SCHEMBL11667808	0.87	CALCR (0.63)	CALCRCRHR1CRHR2OPRD1OPRM1
SCHEMBL11662149	0.87	CALCR (0.66)	CALCRCRHR1CRHR2OPRD1OPRM1
SCHEMBL30073900	0.86	CALCR (0.66)	CALCRCRHR1CRHR2OPRD1OPRM1

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	claimed