SCHEMBL29791604

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	2/20	0.57

▸	TFPI	P10646	4/20	0.56

▸	NPY2R	P49146	7/20	0.55

▸	NPY4R	P50391	7/20	0.55

▸	NPY5R	Q15761	7/20	0.55

▸	NPY1R	P25929	5/20	0.55

▸	C5AR1	P21730	1/20	0.54

▸	CXCR4	P61073	2/20	0.54

▸	EP300	Q09472	1/20	0.53

▸	HIF1A	Q16665	1/20	0.53

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
SCHEMBL30872254	0.91	C5AR1 (0.58)	EPHA2TFPINPY2RNPY4RNPY5R
SCHEMBL31129150	0.90	OPRD1 (0.59)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31182678	0.89	NPY2R (0.63)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31129141	0.88	C5AR1 (0.59)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30906392	0.88	NPY2R (0.61)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30906560	0.88	NPY2R (0.61)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31129133	0.88	OPRD1 (0.62)	EPHA2C5AR1
SCHEMBL31633302	0.88	NPY2R (0.63)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30105815	0.88	NPY2R (0.63)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30567755	0.88	NPY2R (0.59)	TFPINPY2RNPY4RNPY5RNPY1R

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-111620930-B	Polypeptide and application thereof in preparation of dipeptidyl peptidase 4 inhibitor	湖南科技大学	2022-09-06	—	—	CN	disclosed
CN-111620930-B	Polypeptide and application thereof in preparation of dipeptidyl peptidase 4 inhibitor	湖南科技大学	2022-09-06	—	—	CN	disclosed