SCHEMBL30658233

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O

nearest known ligand 0.77

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.71

▸	CRHR1	P34998	1/20	0.69

▸	CRHR2	Q13324	1/20	0.69

▸	NPY2R	P49146	8/20	0.63

▸	NPY4R	P50391	8/20	0.63

▸	NPY5R	Q15761	8/20	0.63

▸	NPY1R	P25929	6/20	0.63

▸	GLP1R	P43220	4/20	0.63

▸	GCGR	P47871	3/20	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
SCHEMBL31182688	0.97	CALCR (0.71)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30495828	0.94	CALCR (0.74)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182501	0.93	CALCR (0.71)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182495	0.92	NPY2R (0.70)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182808	0.92	CALCR (0.69)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30495724	0.92	CALCR (0.66)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182486	0.91	CALCR (0.69)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30658349	0.91	CALCR (0.68)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29767063	0.91	CALCR (0.79)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30432514	0.91	F2 (0.66)	CALCRCRHR1CRHR2NPY2RNPY4R

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