SCHEMBL30658224

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

nearest known ligand 0.73

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	10/20	0.70

▸	NPY1R	P25929	1/20	0.67

▸	NPY2R	P49146	1/20	0.67

▸	NPY4R	P50391	1/20	0.67

▸	NPY5R	Q15761	1/20	0.67

▸	GLP1R	P43220	3/20	0.67

▸	MC4R	P32245	1/20	0.65

▸	MC5R	P33032	1/20	0.65

▸	MC3R	P41968	1/20	0.65

▸	MC1R	Q01726	1/20	0.65

▸	CXCL8	P10145	2/20	0.63

▸	KEAP1	Q14145	1/20	0.63

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
SCHEMBL30432613	0.94	NPY1R (0.69)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182648	0.92	NPY2R (0.72)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658214	0.92	NPY2R (0.72)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29598077	0.91	NPY2R (0.75)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182766	0.91	PTH1R (0.73)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182642	0.91	NPY1R (0.73)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658408	0.91	GLP1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658315	0.91	NPY1R (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30428649	0.91	NPY1R (0.68)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30932069	0.90	GLP1R (0.74)	NPY1RNPY2RNPY4RNPY5RGLP1R

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
US-11753627-B2	Dengue tetravalent vaccine containing a common 30 nucleotide deletion in the 3′-UTR of dengue types 1,2,3, and 4, or antigenic chimeric dengue viruses 1,2,3, and 4	THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US)	2023-09-12	—	—	US	disclosed