SCHEMBL30523243

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	6/20	0.54

▸	CAPN1	P07384	2/20	0.53

▸	CTSB	P07858	2/20	0.53

▸	CXCL8	P10145	5/20	0.50

▸	NTSR2	O95665	1/20	0.50

▸	NTSR1	P30989	1/20	0.50

▸	SORT1	Q99523	1/20	0.50

▸	GNRHR	P30968	1/20	0.49

▸	ERAP2	Q6P179	1/20	0.48

▸	OPRD1	P41143	1/20	0.48

▸	KISS1R	Q969F8	1/20	0.48

▸	GLP1R	P43220	1/20	0.48

▸	GIPR	P48546	1/20	0.48

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
SCHEMBL30467090	0.95	CAPN1 (0.52)	CXCR4CAPN1CTSBCXCL8NTSR2
SCHEMBL31058451	0.94	CXCR4 (0.52)	CXCR4CAPN1CTSBCXCL8NTSR2
SCHEMBL32677743	0.93	CXCR4 (0.52)	CXCR4CAPN1CTSBCXCL8GNRHR
SCHEMBL31058456	0.92	C5AR1 (0.56)	GLP1RGIPR
SCHEMBL30665211	0.91	C5AR1 (0.59)	CXCR4GLP1RGIPR
SCHEMBL31058453	0.90	GLP1R (0.55)	GLP1RGIPR
SCHEMBL29616500	0.89	CXCR4 (0.61)	CXCR4NTSR2NTSR1SORT1GLP1R
SCHEMBL29763090	0.89	GLP1R (0.61)	CXCR4GLP1RGIPR
SCHEMBL29762984	0.89	GLP1R (0.61)	CXCR4GLP1RGIPR
SCHEMBL30608594	0.88	CAPN1 (0.54)	CXCR4CAPN1CTSBNTSR2NTSR1

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-116635008-A	Therapeutic peptide formulations	伊莱利利公司	2023-08-22	—	—	CN	disclosed