SCHEMBL30658345

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

nearest known ligand 0.71

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.71

▸	NPY4R	P50391	8/20	0.71

▸	NPY5R	Q15761	8/20	0.71

▸	NPY1R	P25929	6/20	0.71

▸	CXCR4	P61073	2/20	0.65

▸	GLP1R	P43220	5/20	0.65

▸	CALCA	P06881	2/20	0.63

▸	GCGR	P47871	1/20	0.62

▸	GIPR	P48546	1/20	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
SCHEMBL31182745	0.93	NPY1R (0.71)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30495767	0.92	NPY1R (0.69)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31182815	0.92	NPY2R (0.73)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31105498	0.92	NPY1R (0.72)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL29949636	0.91	NPY1R (0.71)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29352195	0.91	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30658244	0.91	NPY2R (0.76)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL31457379	0.90	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30495836	0.90	GLP1R (0.66)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31182921	0.90	NPY2R (0.76)	NPY2RNPY4RNPY5RNPY1RCXCR4

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