SCHEMBL30527897

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

nearest known ligand 0.68

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.68

▸	NPY2R	P49146	1/20	0.68

▸	NPY4R	P50391	1/20	0.68

▸	NPY5R	Q15761	1/20	0.68

▸	C5AR1	P21730	1/20	0.67

▸	CXCR4	P61073	5/20	0.65

▸	GLP1R	P43220	11/20	0.64

▸	GIPR	P48546	6/20	0.64

▸	IL23R	Q5VWK5	1/20	0.63

▸	GCGR	P47871	3/20	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
SCHEMBL30658215	0.90	NPY1R (0.72)	NPY1RNPY2RNPY4RNPY5RC5AR1
SCHEMBL30658277	0.90	NPY2R (0.75)	NPY1RNPY2RNPY4RNPY5RC5AR1
SCHEMBL29625326	0.90	NPY1R (0.72)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30843895	0.90	NPY1R (0.69)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30607276	0.90	C5AR1 (0.68)	NPY1RNPY2RNPY4RNPY5RC5AR1
SCHEMBL30607479	0.89	NPY1R (0.68)	NPY1RNPY2RNPY4RNPY5RC5AR1
SCHEMBL30804667	0.89	CXCR4 (0.68)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30423542	0.89	NPY1R (0.66)	NPY1RNPY2RNPY4RNPY5RC5AR1
SCHEMBL30666364	0.88	NPY2R (0.69)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29672871	0.88	IL23R (0.70)	NPY1RNPY2RNPY4RNPY5RC5AR1

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-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