SCHEMBL31694497

CSCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	3/20	0.64

▸	CXCL8	P10145	10/20	0.63

▸	NPY1R	P25929	1/20	0.61

▸	NPY2R	P49146	1/20	0.61

▸	NPY4R	P50391	1/20	0.61

▸	NPY5R	Q15761	1/20	0.61

▸	KEAP1	Q14145	1/20	0.60

▸	KISS1R	Q969F8	1/20	0.60

▸	MC4R	P32245	1/20	0.60

▸	MC5R	P33032	1/20	0.60

▸	MC3R	P41968	1/20	0.60

▸	MC1R	Q01726	1/20	0.60

▸	C5AR1	P21730	1/20	0.59

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
SCHEMBL30176214	0.92	KDM1A (0.60)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182936	0.91	NPY2R (0.68)	CXCL8NPY1RNPY2RNPY4RNPY5R
SCHEMBL29545955	0.91	KEAP1 (0.69)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31694492	0.90	KEAP1 (0.70)	CXCR4CXCL8NPY1RNPY2RNPY4R
SCHEMBL30006939	0.90	KEAP1 (0.70)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30432427	0.90	KEAP1 (0.64)	CXCR4CXCL8NPY1RNPY2RNPY4R
SCHEMBL29361885	0.89	GLP1R (0.66)	CXCR4CXCL8NPY1RNPY2RNPY4R
SCHEMBL29649247	0.89	NPY1R (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30218939	0.89	CXCR4 (0.65)	CXCR4CXCL8MC4RMC5RMC3R
SCHEMBL29477190	0.88	TFPI (0.61)	CXCL8

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
US-RE50618-E1	Anionic-core composition for delivery of therapeutic agents, and methods of making and using the same	PHARMAIN CORPORATION (US)	2025-10-07	—	—	US	disclosed