SCHEMBL30658314

CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N(C)C(=O)[C@H](CCSC)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(C)C)C(C)(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)NCC(=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](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.72

▸	GLP1R	P43220	10/20	0.65

▸	CRHR1	P34998	1/20	0.63

▸	CRHR2	Q13324	1/20	0.63

▸	KEAP1	Q14145	1/20	0.62

▸	CCKBR	P32239	4/20	0.61

▸	GCGR	P47871	5/20	0.61

▸	GIPR	P48546	5/20	0.61

▸	NPY1R	P25929	1/20	0.60

▸	NPY2R	P49146	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
SCHEMBL30658369	0.91	CALCR (0.66)	CALCRGLP1RCRHR1CRHR2KEAP1
SCHEMBL30658226	0.91	CALCR (0.77)	CALCRGLP1RCRHR1CRHR2KEAP1
SCHEMBL31182535	0.91	CALCR (0.72)	CALCRGLP1RCRHR1CRHR2KEAP1
SCHEMBL30658206	0.91	CALCR (0.68)	CALCRGLP1RCRHR1CRHR2GCGR
SCHEMBL30884870	0.90	CALCR (0.75)	CALCRGLP1RCRHR1CRHR2KEAP1
SCHEMBL31182976	0.90	CALCR (0.70)	CALCRGLP1RCRHR1CRHR2KEAP1
SCHEMBL30658343	0.90	CALCR (0.81)	CALCRGLP1RCRHR1CRHR2CCKBR
SCHEMBL31148882	0.89	CALCR (0.78)	CALCRGLP1RCRHR1CRHR2CCKBR
SCHEMBL31419713	0.89	CALCR (0.73)	CALCRGLP1RCRHR1CRHR2KEAP1
SCHEMBL30658270	0.89	CALCR (0.71)	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