SCHEMBL30512673

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.64

▸	NPY4R	P50391	15/20	0.61

▸	NPY1R	P25929	9/20	0.61

▸	NPY5R	Q15761	8/20	0.61

▸	NPY2R	P49146	5/20	0.57

▸	BACE1	P56817	2/20	0.55

▸	BACE2	Q9Y5Z0	2/20	0.55

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
SCHEMBL30883259	0.90	TFPI (0.62)	TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL31664362	0.89	TFPI (0.67)	TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL30432906	0.88	TFPI (0.69)	TFPIBACE1BACE2
SCHEMBL31664374	0.88	TFPI (0.68)	TFPINPY4RNPY5RNPY2R
SCHEMBL30184264	0.87	TFPI (0.62)	TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL31419699	0.87	TFPI (0.71)	TFPIBACE1BACE2
SCHEMBL30512654	0.87	NPY4R (0.62)	TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL3206430	0.87	TFPI (0.72)	TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL3260422	0.87	TFPI (0.72)	TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL30865074	0.86	NPY4R (0.60)	TFPINPY4RNPY1RNPY5RNPY2R

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