SCHEMBL31575690

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

nearest known ligand 0.63

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	5/20	0.63

▸	NPY1R	P25929	1/20	0.60

▸	NPY2R	P49146	1/20	0.60

▸	NPY4R	P50391	1/20	0.60

▸	NPY5R	Q15761	1/20	0.60

▸	GLP1R	P43220	12/20	0.59

▸	CCKBR	P32239	2/20	0.57

▸	GCGR	P47871	1/20	0.57

▸	GIPR	P48546	1/20	0.57

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
SCHEMBL30320533	0.93	CXCR4 (0.60)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30262217	0.91	CXCR4 (0.66)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30436894	0.90	CXCR4 (0.69)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182980	0.89	NPY1R (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29758434	0.89	CXCR4 (0.63)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30906422	0.88	NPY1R (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31073551	0.88	NPY1R (0.69)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL10587346	0.88	CXCR4 (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30567729	0.88	NPY1R (0.68)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30567765	0.88	CXCR4 (0.64)	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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-120019812-A	Artificial toad venom composition and application thereof	南京中医药大学	2025-05-20	—	—	CN	claimed
CN-120019812-A	Artificial toad venom composition and application thereof	南京中医药大学	2025-05-20	—	—	CN	disclosed