SCHEMBL30658375

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.68

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	13/20	0.68

▸	CXCR4	P61073	4/20	0.67

▸	NPY1R	P25929	1/20	0.67

▸	NPY2R	P49146	1/20	0.67

▸	NPY4R	P50391	1/20	0.67

▸	NPY5R	Q15761	1/20	0.67

▸	GIPR	P48546	7/20	0.65

▸	GCGR	P47871	1/20	0.64

▸	CCKBR	P32239	2/20	0.64

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
SCHEMBL30485538	0.91	CXCR4 (0.69)	GLP1RCXCR4NPY1RNPY2RNPY4R
SCHEMBL30658215	0.91	NPY1R (0.72)	GLP1RCXCR4NPY1RNPY2RNPY4R
SCHEMBL29812770	0.91	NPY1R (0.69)	GLP1RCXCR4NPY1RNPY2RNPY4R
SCHEMBL29706413	0.91	NPY1R (0.69)	GLP1RCXCR4NPY1RNPY2RNPY4R
SCHEMBL29812652	0.91	NPY2R (0.72)	GLP1RCXCR4NPY1RNPY2RNPY4R
SCHEMBL29812657	0.91	NPY2R (0.72)	GLP1RCXCR4NPY1RNPY2RNPY4R
SCHEMBL31683347	0.90	NPY2R (0.71)	GLP1RCXCR4NPY1RNPY2RNPY4R
SCHEMBL29812820	0.90	CXCR4 (0.68)	GLP1RCXCR4NPY1RNPY2RNPY4R
SCHEMBL29500420	0.90	IL23R (0.68)	GLP1RCXCR4NPY1RNPY2RNPY4R
SCHEMBL30658240	0.90	NPY2R (0.74)	GLP1RCXCR4NPY1RNPY2RNPY4R

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