SCHEMBL30516186

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

nearest known ligand 0.55

Predicted protein targets (top 7)

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

▸	NPY4R	P50391	14/20	0.54

▸	NPY1R	P25929	8/20	0.54

▸	NPY2R	P49146	6/20	0.54

▸	NPY5R	Q15761	6/20	0.54

▸	CD40	P25942	1/20	0.52

▸	IL23R	Q5VWK5	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
SCHEMBL29375535	0.95	NPY4R (0.59)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL29376109	0.95	NPY4R (0.59)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL30329723	0.92	NPY4R (0.61)	NPY4RNPY1RNPY2RNPY5R
SCHEMBL30516190	0.92	NPY4R (0.57)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL31301806	0.91	NPY4R (0.54)	TFPINPY4RNPY1RNPY2RNPY5R
Selcopintide SCHEMBL30691874	0.90	NPY4R (0.62)	TFPINPY4RNPY1RNPY2RNPY5R
Selcopintide SCHEMBL30691875	0.90	NPY4R (0.62)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL31256982	0.90	NPY4R (0.60)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL30153268	0.89	NPY4R (0.65)	NPY4RNPY1RNPY2RNPY5R
SCHEMBL30900790	0.89	TFPI (0.65)	TFPIIL23R

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
CN-116589529-A	Novel anti-novel coronavirus blocking peptide and application thereof	南阳师范学院	2023-08-15	—	—	CN	disclosed
CN-116589529-A	Novel anti-novel coronavirus blocking peptide and application thereof	南阳师范学院	2023-08-15	—	—	CN	disclosed