SCHEMBL31165857

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR2	O95665	1/20	0.57

▸	NTSR1	P30989	1/20	0.57

▸	SORT1	Q99523	1/20	0.57

▸	C5AR1	P21730	2/20	0.56

▸	DPP3	Q9NY33	5/20	0.55

▸	CXCR4	P61073	4/20	0.54

▸	IL23R	Q5VWK5	1/20	0.54

▸	CTNNB1	P35222	2/20	0.52

▸	CTSL	P07711	2/20	0.51

▸	CTSS	P25774	2/20	0.51

▸	CTSK	P43235	2/20	0.51

▸	CTSH	P09668	1/20	0.51

▸	KISS1R	Q969F8	3/20	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
SCHEMBL31607206	0.91	CXCR4 (0.61)	NTSR2NTSR1SORT1DPP3CXCR4
SCHEMBL31108668	0.90	CAPN1 (0.57)	NTSR2NTSR1SORT1C5AR1DPP3
SCHEMBL29640703	0.90	C5AR1 (0.61)	NTSR2NTSR1SORT1C5AR1CXCR4
SCHEMBL31290071	0.89	CXCR4 (0.61)	NTSR2NTSR1SORT1C5AR1DPP3
SCHEMBL30307184	0.88	CXCR4 (0.56)	NTSR2NTSR1SORT1C5AR1DPP3
SCHEMBL30565410	0.88	C5AR1 (0.56)	NTSR2NTSR1SORT1C5AR1DPP3
SCHEMBL34461092	0.88	CXCR4 (0.59)	NTSR2NTSR1SORT1C5AR1DPP3
SCHEMBL29380582	0.88	CXCR4 (0.64)	NTSR2NTSR1SORT1CXCR4CTSL
SCHEMBL34470399	0.87	NTSR2 (0.66)	NTSR2NTSR1SORT1C5AR1DPP3
SCHEMBL31378995	0.87	C5AR1 (0.63)	NTSR2NTSR1SORT1C5AR1DPP3

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
WO-2024200264-A1	PEPTIDES AND USES THEREOF	SYNTHERIX LIMITED (GB)	2024-10-03	—	—	WO	disclosed