SCHEMBL30578728

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	9/20	0.66

▸	NPY2R	P49146	3/20	0.66

▸	NPY4R	P50391	3/20	0.66

▸	NPY5R	Q15761	3/20	0.66

▸	NPY1R	P25929	2/20	0.66

▸	GLP1R	P43220	5/20	0.59

▸	IL23R	Q5VWK5	1/20	0.58

▸	RXFP1	Q9HBX9	1/20	0.58

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
SCHEMBL30578735	0.95	NPY2R (0.64)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30578720	0.93	NPY1R (0.69)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30880905	0.92	CXCR4 (0.63)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30880883	0.90	NPY1R (0.61)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL29430205	0.88	NPY1R (0.65)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30816280	0.88	NPY1R (0.65)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL31182745	0.88	NPY1R (0.71)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30495698	0.88	GLP1R (0.66)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL31622297	0.87	KEAP1 (0.68)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30423162	0.87	CXCR4 (0.61)	CXCR4NPY2RNPY4RNPY5RNPY1R

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-116769027-B	anti-IL-17 nanobody, polypeptide and application thereof	康元医疗科技(大连)有限公司	2023-12-01	—	—	CN	disclosed
CN-116769027-A	anti-IL-17 nanobody, polypeptide and application thereof	康元医疗科技(大连)有限公司	2023-09-19	—	—	CN	disclosed