SCHEMBL30974437

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

nearest known ligand 0.55

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.55

▸	BACE1	P56817	12/20	0.51

▸	BACE2	Q9Y5Z0	5/20	0.51

▸	NPY2R	P49146	3/20	0.51

▸	NPY4R	P50391	3/20	0.51

▸	NPY1R	P25929	2/20	0.51

▸	VIPR1	P32241	1/20	0.50

▸	KISS1R	Q969F8	3/20	0.49

▸	NPY5R	Q15761	2/20	0.49

▸	CTSD	P07339	1/20	0.49

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
SCHEMBL30974430	0.93	KISS1R (0.54)	TFPIBACE1BACE2NPY2RNPY4R
SCHEMBL30974294	0.93	BACE1 (0.59)	TFPIBACE1BACE2NPY2RNPY4R
SCHEMBL30861920	0.89	TFPI (0.65)	TFPIBACE1BACE2NPY2RNPY4R
SCHEMBL30973981	0.89	NPY4R (0.56)	TFPIBACE1BACE2NPY2RNPY4R
SCHEMBL30271990	0.89	TFPI (0.67)	TFPIBACE1BACE2NPY2RNPY4R
SCHEMBL31000915	0.88	BACE1 (0.59)	TFPIBACE1BACE2VIPR1KISS1R
SCHEMBL30726528	0.88	BACE1 (0.56)	TFPIBACE1BACE2VIPR1KISS1R
SCHEMBL30271991	0.88	TFPI (0.66)	TFPINPY2RNPY4RNPY1RVIPR1
SCHEMBL29778027	0.88	VIPR2 (0.54)	TFPIBACE1BACE2VIPR1KISS1R
SCHEMBL29520980	0.88	VIPR2 (0.54)	TFPIBACE1BACE2VIPR1KISS1R

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