SCHEMBL30527936

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

nearest known ligand 0.65

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	11/20	0.65

▸	NPY1R	P25929	1/20	0.62

▸	NPY2R	P49146	1/20	0.62

▸	NPY4R	P50391	1/20	0.62

▸	NPY5R	Q15761	1/20	0.62

▸	C5AR1	P21730	1/20	0.61

▸	IL23R	Q5VWK5	5/20	0.60

▸	MC4R	P32245	1/20	0.56

▸	MC5R	P33032	1/20	0.56

▸	MC3R	P41968	1/20	0.56

▸	MC1R	Q01726	1/20	0.56

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
SCHEMBL29416039	1.00	CXCR4 (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29416084	0.96	NPY1R (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29416134	0.90	C5AR1 (0.64)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29618035	0.89	CXCR4 (0.72)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29672871	0.89	IL23R (0.70)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31622299	0.88	CXCR4 (0.66)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31707333	0.88	CXCR4 (0.73)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182522	0.88	NPY2R (0.71)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31452905	0.87	CXCR4 (0.62)	CXCR4C5AR1IL23R
SCHEMBL31622296	0.87	C5AR1 (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 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