SCHEMBL30974604

CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	7/20	0.63

▸	ECE1	P42892	1/20	0.63

▸	MUS81	Q96NY9	1/20	0.63

▸	IL23R	Q5VWK5	8/20	0.61

▸	NR3C1	P04150	3/20	0.60

▸	CCKAR	P32238	1/20	0.59

▸	CCKBR	P32239	1/20	0.59

▸	OPRD1	P41143	1/20	0.59

▸	TFPI	P10646	1/20	0.59

▸	GCGR	P47871	1/20	0.57

▸	GIPR	P48546	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
SCHEMBL30974278	0.96	IL23R (0.62)	GLP1RECE1MUS81IL23RNR3C1
SCHEMBL31141448	0.90	KISS1R (0.69)	—
SCHEMBL30974043	0.90	IL23R (0.66)	GLP1RECE1MUS81IL23R
SCHEMBL29695434	0.89	IL23R (0.67)	GLP1RECE1MUS81IL23RNR3C1
SCHEMBL30262192	0.88	GLP1R (0.67)	GLP1RECE1MUS81IL23RNR3C1
SCHEMBL29410239	0.88	NR3C1 (0.66)	GLP1RECE1MUS81NR3C1CCKBR
SCHEMBL30974355	0.88	CCKBR (0.58)	IL23RCCKARCCKBROPRD1
SCHEMBL30433545	0.88	GLP1R (0.71)	GLP1RECE1MUS81NR3C1CCKBR
SCHEMBL31141447	0.88	NPBWR1 (0.66)	CCKARCCKBROPRD1
SCHEMBL31141460	0.88	KISS1R (0.72)	—

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