SCHEMBL31073607

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	4/20	0.63

▸	IL23R	Q5VWK5	1/20	0.59

▸	GLP1R	P43220	8/20	0.58

▸	GIPR	P48546	6/20	0.58

▸	CCKBR	P32239	2/20	0.58

▸	C5AR1	P21730	1/20	0.57

▸	NPY1R	P25929	1/20	0.57

▸	NPY2R	P49146	1/20	0.57

▸	NPY4R	P50391	1/20	0.57

▸	NPY5R	Q15761	1/20	0.57

▸	CALCR	P30988	2/20	0.56

▸	CALCA	P06881	1/20	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
SCHEMBL31182631	0.91	CXCR4 (0.66)	CXCR4IL23RGLP1RGIPRCCKBR
SCHEMBL30958882	0.89	CALCR (0.69)	GLP1RGIPRCCKBRNPY1RNPY2R
SCHEMBL29949636	0.88	NPY1R (0.71)	CXCR4GLP1RNPY1RNPY2RNPY4R
SCHEMBL29903312	0.87	IL23R (0.67)	CXCR4IL23RGLP1RCCKBRC5AR1
SCHEMBL30567706	0.87	GLP1R (0.70)	CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL31182666	0.87	CXCR4 (0.68)	CXCR4IL23RGLP1RNPY1RNPY2R
SCHEMBL31148836	0.86	CALCR (0.70)	GLP1RGIPRCCKBRNPY1RNPY2R
SCHEMBL29812751	0.86	GLP1R (0.63)	CXCR4GLP1RGIPRCCKBRNPY1R
SCHEMBL29698518	0.86	CALCRL (0.62)	CALCR
SCHEMBL30906500	0.86	NPY1R (0.66)	CXCR4IL23RGLP1RGIPRCCKBR

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