SCHEMBL30658369

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

nearest known ligand 0.69

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.66

▸	GLP1R	P43220	11/20	0.63

▸	GCGR	P47871	8/20	0.63

▸	GIPR	P48546	5/20	0.63

▸	CRHR1	P34998	1/20	0.62

▸	CRHR2	Q13324	1/20	0.62

▸	KEAP1	Q14145	1/20	0.60

▸	APLNR	P35414	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
SCHEMBL30658223	0.95	CALCR (0.65)	CALCRGLP1RGCGRGIPRCRHR1
SCHEMBL30658206	0.94	CALCR (0.68)	CALCRGLP1RGCGRGIPRCRHR1
SCHEMBL31182465	0.92	CALCR (0.62)	CALCRGLP1RGCGRGIPRCRHR1
SCHEMBL30658314	0.91	CALCR (0.72)	CALCRGLP1RGCGRGIPRCRHR1
SCHEMBL30565140	0.89	CALCR (0.68)	CALCRGLP1RGCGRGIPRCRHR1
SCHEMBL30565138	0.89	CALCR (0.68)	CALCRGLP1RGCGRGIPRCRHR1
SCHEMBL30884870	0.89	CALCR (0.75)	CALCRGLP1RGCGRGIPRCRHR1
SCHEMBL31182812	0.89	NPY2R (0.65)	CALCRGLP1R
SCHEMBL30658394	0.89	CALCR (0.66)	CALCRGLP1RGCGRCRHR1CRHR2
SCHEMBL30658247	0.89	KEAP1 (0.61)	CALCRGLP1RCRHR1CRHR2KEAP1

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