SCHEMBL30974476

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

nearest known ligand 0.57

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	1/20	0.56

▸	BACE1	P56817	4/20	0.55

▸	NPY2R	P49146	5/20	0.55

▸	NPY4R	P50391	5/20	0.55

▸	NPY5R	Q15761	5/20	0.55

▸	NPY1R	P25929	4/20	0.55

▸	CALCRL	Q16602	1/20	0.55

▸	TFPI	P10646	1/20	0.55

▸	OPRM1	P35372	4/20	0.54

▸	OPRK1	P41145	4/20	0.54

▸	OPRD1	P41143	2/20	0.54

▸	KDM1A	O60341	1/20	0.54

▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

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
SCHEMBL30974520	0.95	BACE1 (0.58)	NMUR2BACE1NPY2RNPY4RNPY5R
SCHEMBL30974517	0.95	BACE1 (0.57)	NMUR2BACE1CALCRLOPRM1OPRK1
SCHEMBL30973950	0.94	NPY2R (0.59)	NMUR2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31005057	0.92	NPY2R (0.59)	NMUR2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31005072	0.92	OPRD1 (0.60)	NMUR2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30974463	0.91	CALCRL (0.55)	BACE1CALCRLOPRK1
SCHEMBL31005059	0.91	NPY2R (0.59)	NMUR2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30406310	0.90	KDM1A (0.58)	NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL30974100	0.89	TFPI (0.66)	NMUR2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30401090	0.88	NPY2R (0.48)	NPY2RNPY4RNPY5RNPY1RCALCRL

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