SCHEMBL30978816

CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C

nearest known ligand 0.70

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	10/20	0.70

▸	IL23R	Q5VWK5	1/20	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

▸	RXFP1	Q9HBX9	1/20	0.61

▸	GLP1R	P43220	2/20	0.59

▸	KEAP1	Q14145	1/20	0.58

▸	CALCA	P06881	2/20	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
Melittin SCHEMBL19458851	0.98	CXCR4 (0.66)	CXCR4IL23RNPY1RNPY2RNPY4R
Melittin SCHEMBL29351537	0.98	CXCR4 (0.66)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL29973066	0.95	NPY1R (0.66)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30709702	0.95	NPY1R (0.66)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL29993191	0.94	IL23R (0.66)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30456690	0.93	NPY2R (0.68)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL29993338	0.92	NPY1R (0.67)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL29385720	0.92	CXCR4 (0.61)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL29989757	0.91	NPY2R (0.67)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30456977	0.91	NPY1R (0.66)	CXCR4IL23RNPY1RNPY2RNPY4R

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-117964917-A	Melittin hydrogel and preparation method and application thereof	中国科学院长春应用化学研究所	2024-05-03	—	—	CN	disclosed