SCHEMBL30273393

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	9/20	0.61

▸	NTSR2	O95665	1/20	0.58

▸	NTSR1	P30989	1/20	0.58

▸	SORT1	Q99523	1/20	0.58

▸	NPY1R	P25929	1/20	0.57

▸	NPY2R	P49146	1/20	0.57

▸	NPY4R	P50391	1/20	0.57

▸	NPY5R	Q15761	1/20	0.57

▸	F13A1	P00488	1/20	0.54

▸	TGM2	P21980	1/20	0.54

▸	DPP3	Q9NY33	1/20	0.53

▸	KISS1R	Q969F8	2/20	0.53

▸	C5AR1	P21730	1/20	0.52

▸	OPRM1	P35372	2/20	0.52

▸	OPRK1	P41145	2/20	0.52

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
SCHEMBL29412263	0.96	CXCR4 (0.61)	CXCR4NTSR2NTSR1SORT1NPY1R
Omiganan SCHEMBL27824120	0.94	CXCR4 (0.60)	CXCR4NTSR2NTSR1SORT1NPY1R
Omiganan SCHEMBL29410943	0.94	CXCR4 (0.59)	CXCR4NTSR2NTSR1SORT1NPY1R
SCHEMBL28202049	0.93	CXCR4 (0.60)	CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL29675079	0.93	CXCR4 (0.60)	CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL34470399	0.93	NTSR2 (0.66)	CXCR4NTSR2NTSR1SORT1DPP3
SCHEMBL29674929	0.92	CXCR4 (0.59)	CXCR4KISS1ROPRM1OPRK1
SCHEMBL29675119	0.92	CXCR4 (0.59)	CXCR4KISS1ROPRM1OPRK1
SCHEMBL31158220	0.90	CXCR4 (0.68)	CXCR4NTSR2NTSR1SORT1NPY1R
SCHEMBL31506622	0.90	DPP3 (0.61)	CXCR4NTSR2NTSR1SORT1F13A1

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-115836052-A	Topical formulations of (1S) -1-phenyl-2-pyridin-2-ylethylamine	拜尔哈文制药股份有限公司	2023-03-21	—	—	CN	disclosed