SCHEMBL30335630

CC(C)C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.70

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	4/20	0.64

▸	NMUR1	Q9HB89	4/20	0.64

▸	CXCR4	P61073	2/20	0.64

▸	TFPI	P10646	4/20	0.63

▸	EPHA2	P29317	2/20	0.63

▸	NPY2R	P49146	6/20	0.60

▸	NPY4R	P50391	6/20	0.60

▸	NPY5R	Q15761	6/20	0.60

▸	NPY1R	P25929	4/20	0.60

▸	RAMP3	O60896	1/20	0.59

▸	CALCR	P30988	1/20	0.59

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
SCHEMBL31707403	0.97	CXCR4 (0.62)	NMUR2NMUR1CXCR4TFPIEPHA2
SCHEMBL31012332	0.96	TFPI (0.63)	NMUR2NMUR1CXCR4TFPINPY2R
SCHEMBL32670411	0.92	EPHA2 (0.68)	NMUR2NMUR1TFPIEPHA2NPY2R
SCHEMBL30335928	0.91	EPHA2 (0.68)	NMUR2NMUR1TFPIEPHA2NPY2R
SCHEMBL30327403	0.91	EPHA2 (0.68)	NMUR2NMUR1TFPIEPHA2NPY2R
SCHEMBL31182912	0.91	NPY2R (0.66)	NMUR2NMUR1TFPINPY2RNPY4R
SCHEMBL29562124	0.90	NPY2R (0.67)	NMUR2NMUR1TFPINPY2RNPY4R
SCHEMBL30495721	0.90	NPY2R (0.65)	CXCR4TFPINPY2RNPY4RNPY5R
SCHEMBL29632841	0.90	TFPI (0.64)	NMUR2NMUR1TFPIEPHA2NPY2R
SCHEMBL31182566	0.90	TFPI (0.68)	CXCR4TFPINPY2RNPY4RNPY5R

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
EP-4415744-A1	PEPTIDES AND FRAGMENTS FOR TREATING DIABETES AND ASSOCIATED METABOLIC DISEASES	Betavive Ltd. (IL)	2024-08-21	—	—	EP	disclosed
WO-2023062545-A1	PEPTIDES AND FRAGMENTS FOR TREATING DIABETES AND ASSOCIATED METABOLIC DISEASES	BETAVIVE LTD. (IL)	2023-04-20	—	—	WO	disclosed