SCHEMBL30974009

N=C(N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.62

▸	APLNR	P35414	4/20	0.59

▸	OPRM1	P35372	4/20	0.53

▸	OPRD1	P41143	2/20	0.53

▸	OPRK1	P41145	2/20	0.53

▸	F2	P00734	1/20	0.52

▸	GHSR	Q92847	2/20	0.52

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
SCHEMBL30974277	0.96	C5AR1 (0.62)	C5AR1APLNROPRM1OPRK1F2
SCHEMBL29641093	0.92	C5AR1 (0.64)	C5AR1APLNROPRM1OPRD1OPRK1
SCHEMBL29641118	0.91	C5AR1 (0.60)	C5AR1APLNROPRM1OPRD1F2
SCHEMBL31574325	0.91	C5AR1 (0.68)	C5AR1APLNR
SCHEMBL31356966	0.91	C5AR1 (0.61)	C5AR1APLNRGHSR
SCHEMBL29608843	0.90	C5AR1 (0.58)	C5AR1APLNROPRM1OPRK1
SCHEMBL29608840	0.90	C5AR1 (0.58)	C5AR1APLNROPRM1OPRK1
SCHEMBL29607540	0.89	C5AR1 (0.56)	C5AR1APLNROPRM1OPRK1F2
SCHEMBL30753629	0.88	APLNR (0.62)	C5AR1APLNROPRM1OPRK1F2
SCHEMBL29608384	0.88	APLNR (0.56)	C5AR1APLNROPRM1OPRK1GHSR

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