SCHEMBL30658272

CSCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)C(C)C)C(C)(C)C)[C@@H](C)O

nearest known ligand 0.71

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.61

▸	NPY4R	P50391	8/20	0.61

▸	NPY5R	Q15761	8/20	0.61

▸	NPY1R	P25929	6/20	0.61

▸	TFPI	P10646	4/20	0.59

▸	CALCR	P30988	3/20	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
SCHEMBL30658196	0.93	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182597	0.89	KEAP1 (0.63)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182776	0.89	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30804648	0.88	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29939229	0.88	CALCR (0.61)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182900	0.87	CALCR (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182906	0.87	NPY1R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495756	0.87	CALCR (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182744	0.87	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29523674	0.87	CALCR (0.70)	NPY2RNPY4RNPY5RNPY1RTFPI

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