SCHEMBL30658319

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.73

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.73

▸	CRHR1	P34998	1/20	0.69

▸	CRHR2	Q13324	1/20	0.69

▸	GLP1R	P43220	11/20	0.61

▸	CCKBR	P32239	1/20	0.60

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
SCHEMBL30658217	0.96	CALCR (0.73)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL31182905	0.93	CALCR (0.72)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL30658321	0.92	CRHR1 (0.70)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL30658252	0.92	CALCR (0.71)	CALCRCRHR1CRHR2GLP1R
SCHEMBL31000893	0.92	CALCR (0.67)	CALCRCRHR1CRHR2GLP1R
SCHEMBL30567735	0.92	CALCR (0.65)	CALCRCRHR1CRHR2GLP1R
SCHEMBL30432434	0.92	CALCR (0.66)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL31182438	0.91	CALCR (0.68)	CALCRCRHR1CRHR2GLP1R
SCHEMBL29595551	0.90	CALCR (0.68)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL30432126	0.90	CALCR (0.68)	CALCRCRHR1CRHR2GLP1R

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