SCHEMBL7753372

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

nearest known ligand 0.58

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	14/20	0.55

▸	NPY1R	P25929	1/20	0.53

▸	NPY2R	P49146	1/20	0.53

▸	NPY4R	P50391	1/20	0.53

▸	CTSD	P07339	2/20	0.52

▸	BACE2	Q9Y5Z0	3/20	0.52

▸	KISS1R	Q969F8	3/20	0.51

▸	TFPI	P10646	1/20	0.51

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
SCHEMBL30570979	0.92	NPY4R (0.57)	BACE1NPY1RNPY2RNPY4RCTSD
SCHEMBL32665677	0.92	TFPI (0.53)	BACE1NPY1RNPY2RNPY4RBACE2
SCHEMBL30512711	0.89	TFPI (0.60)	NPY1RNPY2RNPY4RKISS1RTFPI
SCHEMBL30570969	0.89	OPRD1 (0.56)	BACE1NPY1RNPY2RNPY4RCTSD
SCHEMBL30974430	0.89	KISS1R (0.54)	BACE1NPY1RNPY2RNPY4RCTSD
SCHEMBL30974294	0.88	BACE1 (0.59)	BACE1NPY1RNPY2RNPY4RCTSD
SCHEMBL30641532	0.88	NPY1R (0.54)	BACE1NPY1RNPY2RNPY4RCTSD
SCHEMBL29419579	0.87	NPY4R (0.57)	BACE1NPY1RNPY2RNPY4RCTSD
SCHEMBL29798016	0.87	BACE1 (0.61)	BACE1CTSDBACE2KISS1R
SCHEMBL29363254	0.86	NPY1R (0.54)	BACE1NPY1RNPY2RNPY4RCTSD

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-2001044289-A2	MODIFIED LEUKOTOXIN GENE AND PROTEIN	UNIVERSITY OF GUELPH OFFICE OF THE VICE PRESIDENT OF RESEARCH (CA)	2001-06-21	—	—	WO	disclosed