SCHEMBL31031455

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.65

▸	MAOB	P27338	1/20	0.65

▸	KDM5A	P29375	1/20	0.65

▸	KDM1B	Q8NB78	1/20	0.65

▸	NPY2R	P49146	7/20	0.61

▸	NPY4R	P50391	7/20	0.61

▸	NPY5R	Q15761	7/20	0.61

▸	NPY1R	P25929	5/20	0.61

▸	C5AR1	P21730	1/20	0.58

▸	NTSR2	O95665	2/20	0.58

▸	NTSR1	P30989	2/20	0.58

▸	SORT1	Q99523	2/20	0.58

▸	TFPI	P10646	4/20	0.58

▸	RAMP3	O60896	1/20	0.57

▸	CALCR	P30988	1/20	0.57

▸	EPHA2	P29317	1/20	0.57

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
SCHEMBL31031546	0.96	KDM1A (0.67)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL29625796	0.92	KDM1A (0.66)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL31307252	0.91	EPHA2 (0.63)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL29521532	0.91	KDM1A (0.66)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30974515	0.91	KDM1A (0.61)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30495741	0.90	KDM1A (0.70)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL29903316	0.90	NPY2R (0.64)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30512776	0.90	KDM1A (0.61)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL29477118	0.90	KDM1A (0.60)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL29395807	0.90	KDM1A (0.64)	KDM1AMAOBKDM5AKDM1BNPY2R

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