SCHEMBL30658222

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC

nearest known ligand 0.69

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.69

▸	NPY2R	P49146	1/20	0.69

▸	NPY4R	P50391	1/20	0.69

▸	NPY5R	Q15761	1/20	0.69

▸	CALCR	P30988	3/20	0.65

▸	GLP1R	P43220	11/20	0.65

▸	CXCR4	P61073	2/20	0.62

▸	RXFP1	Q9HBX9	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
SCHEMBL30658305	0.95	NPY1R (0.67)	NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL30658324	0.93	NPY2R (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182602	0.93	CALCR (0.64)	NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL31073551	0.92	NPY1R (0.69)	NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL30658310	0.92	CALCR (0.63)	NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL30607270	0.92	NPY2R (0.66)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658391	0.92	NPY2R (0.70)	NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL31182986	0.91	PTH1R (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182980	0.91	NPY1R (0.65)	NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL30658195	0.91	CALCR (0.65)	NPY1RNPY2RNPY4RNPY5RCALCR

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