SCHEMBL30974414

NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	13/20	0.53

▸	OPRM1	P35372	8/20	0.53

▸	CCKAR	P32238	3/20	0.52

▸	CCKBR	P32239	3/20	0.52

▸	TFPI	P10646	1/20	0.51

▸	APC	P25054	1/20	0.51

▸	OPRK1	P41145	2/20	0.50

▸	BACE1	P56817	1/20	0.50

▸	BACE2	Q9Y5Z0	1/20	0.50

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
SCHEMBL30973968	0.91	OPRD1 (0.49)	OPRD1OPRM1CCKARCCKBRTFPI
SCHEMBL285960	0.88	BACE1 (0.54)	BACE1BACE2
SCHEMBL285961	0.88	BACE1 (0.54)	BACE1BACE2
SCHEMBL31243859	0.88	OPRD1 (0.58)	OPRD1OPRM1TFPIOPRK1
SCHEMBL31243865	0.88	OPRD1 (0.58)	OPRD1OPRM1TFPIOPRK1
SCHEMBL29489260	0.87	OPRD1 (0.62)	OPRD1OPRM1TFPIOPRK1
SCHEMBL30861236	0.87	OPRD1 (0.53)	OPRD1OPRM1OPRK1BACE1BACE2
SCHEMBL29695538	0.85	NAALAD2 (0.52)	OPRD1OPRM1CCKARCCKBRAPC
SCHEMBL30974176	0.85	NAALAD2 (0.52)	OPRD1OPRM1OPRK1
SCHEMBL30974491	0.85	NPY4R (0.54)	OPRM1

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	disclosed