SCHEMBL29664822

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	4/20	0.50

▸	CXCR4	P61073	2/20	0.49

▸	NPY2R	P49146	5/20	0.49

▸	NPY4R	P50391	5/20	0.49

▸	NPY5R	Q15761	5/20	0.49

▸	NPY1R	P25929	4/20	0.49

▸	CALCR	P30988	5/20	0.49

▸	RAMP3	O60896	3/20	0.48

▸	EP300	Q09472	1/20	0.48

▸	HIF1A	Q16665	1/20	0.48

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
SCHEMBL29664598	0.96	CALCR (0.51)	TFPICXCR4NPY2RNPY4RNPY5R
SCHEMBL29679720	0.90	CXCR4 (0.49)	TFPICXCR4NPY2RNPY4RNPY5R
SCHEMBL38662669	0.90	OPRD1 (0.47)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30431793	0.89	NPY2R (0.52)	TFPICXCR4NPY2RNPY4RNPY5R
SCHEMBL30522715	0.89	CXCR4 (0.50)	TFPICXCR4NPY2RNPY4RNPY5R
SCHEMBL30930178	0.88	CALCR (0.53)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30930186	0.88	RAMP3 (0.55)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30102119	0.88	RAMP3 (0.47)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30930139	0.88	CALCR (0.56)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31228878	0.88	KDM1A (0.47)	CXCR4CALCRRAMP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-11505580-B2	Leech polypeptide and use thereof	SHANDONG UNIVERSITY (CN)	2022-11-22	—	—	US	disclosed
US-20220162273-A1	LEECH POLYPEPTIDE AND USE THEREOF	SHANDONG UNIVERSITY (CN)	2022-05-26	—	—	US	disclosed