SCHEMBL30512684

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	10/20	0.51

▸	NPY4R	P50391	7/20	0.51

▸	NPY1R	P25929	5/20	0.51

▸	NPY2R	P49146	4/20	0.51

▸	NPY5R	Q15761	4/20	0.51

▸	BACE2	Q9Y5Z0	3/20	0.51

▸	CTSD	P07339	1/20	0.51

▸	VIPR2	P41587	2/20	0.46

▸	TFPI	P10646	1/20	0.46

▸	VIPR1	P32241	1/20	0.46

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
SCHEMBL30068491	0.97	NPY4R (0.53)	BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31097689	0.95	NPY4R (0.55)	BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31097703	0.95	NPY4R (0.55)	BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31097698	0.95	NPY4R (0.55)	BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30130347	0.95	BACE1 (0.52)	BACE1BACE2CTSDVIPR2TFPI
SCHEMBL31031482	0.94	NPY4R (0.51)	BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31256738	0.93	NPY4R (0.55)	BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL38660457	0.93	BACE1 (0.52)	BACE1BACE2CTSDVIPR2TFPI
SCHEMBL31584722	0.92	NPY4R (0.47)	BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31097679	0.91	NPY4R (0.58)	NPY4RNPY1RNPY2RNPY5RVIPR2

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
CN-116490215-A	Targeted mediated endocytic drug delivery	CRM医疗有限公司	2023-07-25	—	—	CN	disclosed