SCHEMBL30658201

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)C(C)C)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.65

▸	GLP1R	P43220	14/20	0.64

▸	CCKBR	P32239	4/20	0.64

▸	NPY1R	P25929	1/20	0.61

▸	NPY2R	P49146	1/20	0.61

▸	NPY4R	P50391	1/20	0.61

▸	NPY5R	Q15761	1/20	0.61

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
SCHEMBL29443917	0.93	CALCR (0.66)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL30690369	0.92	CALCR (0.66)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL30690333	0.92	CALCR (0.66)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL30658287	0.90	NPY1R (0.70)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL31000908	0.89	NPY2R (0.72)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL31182837	0.88	CXCR4 (0.67)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL30495816	0.88	CALCR (0.67)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL30958882	0.88	CALCR (0.69)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL31148884	0.88	CALCR (0.79)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL30567706	0.87	GLP1R (0.70)	CALCRGLP1RCCKBRNPY1RNPY2R

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