SCHEMBL29416101

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CXCL8	P10145	10/20	0.69

▸	CXCR4	P61073	5/20	0.64

▸	KISS1R	Q969F8	4/20	0.63

▸	NPY1R	P25929	1/20	0.62

▸	NPY2R	P49146	1/20	0.62

▸	NPY4R	P50391	1/20	0.62

▸	NPY5R	Q15761	1/20	0.62

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
SCHEMBL30272532	0.96	CXCL8 (0.66)	CXCL8CXCR4KISS1RNPY1RNPY2R
SCHEMBL30527870	0.94	CXCR4 (0.69)	CXCL8CXCR4KISS1RNPY1RNPY2R
SCHEMBL29416034	0.94	CXCR4 (0.69)	CXCL8CXCR4KISS1RNPY1RNPY2R
SCHEMBL30646312	0.90	KISS1R (0.65)	CXCL8CXCR4KISS1R
SCHEMBL29416065	0.89	KISS1R (0.65)	CXCL8CXCR4KISS1R
SCHEMBL31182610	0.89	NPY2R (0.75)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30607440	0.89	NPY1R (0.65)	CXCL8CXCR4KISS1RNPY1RNPY2R
SCHEMBL30423542	0.89	NPY1R (0.66)	CXCL8CXCR4KISS1RNPY1RNPY2R
SCHEMBL30272519	0.89	CXCR4 (0.65)	CXCL8CXCR4KISS1R
SCHEMBL31182571	0.88	NPY2R (0.71)	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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-114099636-A	Method of treating a condition requiring cell destruction or removal using peptides derived from neurofilament proteins	尼莫克斯制药公司	2022-03-01	—	—	CN	disclosed