SCHEMBL29924507

CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	10/20	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

▸	C5AR1	P21730	1/20	0.57

▸	NMUR2	Q9GZQ4	4/20	0.57

▸	NMUR1	Q9HB89	4/20	0.57

▸	DPP3	Q9NY33	1/20	0.55

▸	KISS1R	Q969F8	2/20	0.54

▸	TACR1	P25103	1/20	0.54

▸	OPRD1	P41143	1/20	0.54

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
SCHEMBL30273393	0.89	CXCR4 (0.61)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30439395	0.88	OPRD1 (0.67)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30371655	0.88	CXCR4 (0.60)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29350708	0.88	DPP3 (0.64)	CXCR4C5AR1DPP3KISS1R
SCHEMBL30867029	0.87	CXCR4 (0.63)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29674929	0.87	CXCR4 (0.59)	CXCR4KISS1R
SCHEMBL29675119	0.87	CXCR4 (0.59)	CXCR4KISS1R
SCHEMBL29412263	0.87	CXCR4 (0.61)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30575503	0.87	C5AR1 (0.59)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30288110	0.86	KISS1R (0.61)	CXCR4C5AR1DPP3KISS1R

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-115215924-A	Polypeptide with angiotensin converting enzyme inhibitory activity and application thereof	卢娆红	2022-10-21	—	—	CN	disclosed