SCHEMBL30527870

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](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	7/20	0.69

▸	CXCL8	P10145	10/20	0.66

▸	NPY1R	P25929	1/20	0.64

▸	NPY2R	P49146	1/20	0.64

▸	NPY4R	P50391	1/20	0.64

▸	NPY5R	Q15761	1/20	0.64

▸	KISS1R	Q969F8	1/20	0.61

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
SCHEMBL29416034	1.00	CXCR4 (0.69)	CXCR4CXCL8NPY1RNPY2RNPY4R
SCHEMBL29416101	0.94	CXCL8 (0.69)	CXCR4CXCL8NPY1RNPY2RNPY4R
SCHEMBL30272532	0.93	CXCL8 (0.66)	CXCR4CXCL8NPY1RNPY2RNPY4R
SCHEMBL30646312	0.92	KISS1R (0.65)	CXCR4CXCL8KISS1R
SCHEMBL29416065	0.91	KISS1R (0.65)	CXCR4CXCL8KISS1R
SCHEMBL30272499	0.91	CXCR4 (0.70)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29416243	0.91	CXCR4 (0.70)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31707333	0.90	CXCR4 (0.73)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30646301	0.88	CXCR4 (0.66)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29416050	0.88	CXCR4 (0.66)	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-116785403-A	Neurofilament peptides for preventing or slowing the progression of prostate cancer	尼莫克斯股份有限公司	2023-09-22	—	—	CN	disclosed
CN-109310732-B	Neurofilament peptides for preventing or slowing the progression of prostate cancer	尼莫克斯股份有限公司	2023-07-21	—	—	CN	disclosed