SCHEMBL31073511

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

nearest known ligand 0.61

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	6/20	0.61

▸	NPY1R	P25929	1/20	0.61

▸	NPY2R	P49146	1/20	0.61

▸	NPY4R	P50391	1/20	0.61

▸	NPY5R	Q15761	1/20	0.61

▸	IL23R	Q5VWK5	1/20	0.57

▸	CTSL	P07711	2/20	0.57

▸	CTSS	P25774	2/20	0.57

▸	CTSK	P43235	2/20	0.57

▸	CTSH	P09668	1/20	0.57

▸	GLP1R	P43220	6/20	0.56

▸	GIPR	P48546	6/20	0.56

▸	RAMP3	O60896	3/20	0.56

▸	CALCR	P30988	3/20	0.56

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
SCHEMBL30883245	0.90	CXCR4 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30553959	0.89	CXCR4 (0.56)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182943	0.89	CXCR4 (0.64)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30607479	0.88	NPY1R (0.68)	NPY1RNPY2RNPY4RNPY5RIL23R
SCHEMBL31182745	0.88	NPY1R (0.71)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30527897	0.88	NPY1R (0.68)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31154481	0.88	CXCR4 (0.67)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30423162	0.88	CXCR4 (0.61)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30275583	0.88	CXCR4 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30862312	0.88	NPY1R (0.66)	CXCR4NPY1RNPY2RNPY4RNPY5R

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-118777592-A	Colloidal gold test strip for detecting anti-PLA 2R antibody, preparation method thereof, kit and application	江南大学	2024-10-15	—	—	CN	disclosed