SCHEMBL31146727

CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.78

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.74

▸	GLP1R	P43220	12/20	0.71

▸	GCGR	P47871	5/20	0.71

▸	KEAP1	Q14145	1/20	0.69

▸	CCKBR	P32239	4/20	0.68

▸	NPY1R	P25929	1/20	0.67

▸	NPY2R	P49146	1/20	0.67

▸	NPY4R	P50391	1/20	0.67

▸	NPY5R	Q15761	1/20	0.67

▸	GIPR	P48546	2/20	0.66

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
SCHEMBL29595302	0.97	CALCR (0.74)	CALCRGLP1RGCGRKEAP1CCKBR
SCHEMBL30771981	0.96	CALCR (0.77)	CALCRGLP1RGCGRKEAP1CCKBR
SCHEMBL31202689	0.96	CALCR (0.73)	CALCRGLP1RGCGRKEAP1CCKBR
SCHEMBL31027131	0.95	CALCR (0.76)	CALCRGLP1RGCGRKEAP1CCKBR
SCHEMBL31217658	0.95	CALCR (0.75)	CALCRGLP1RGCGRKEAP1CCKBR
SCHEMBL29843716	0.95	CALCR (0.76)	CALCRGLP1RGCGRKEAP1CCKBR
SCHEMBL30721631	0.95	CALCR (0.74)	CALCRGLP1RGCGRKEAP1CCKBR
SCHEMBL30721549	0.95	CALCR (0.74)	CALCRGLP1RGCGRKEAP1CCKBR
SCHEMBL30721596	0.95	CALCR (0.74)	CALCRGLP1RGCGRKEAP1CCKBR
SCHEMBL30721569	0.95	CALCR (0.74)	CALCRGLP1RGCGRKEAP1CCKBR

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
WO-2024174431-A1	PROTEIN GMPHD6 RELATED TO WEIGHT AND YIELD OF SEEDS, AND RELATED BIOLOGICAL MATERIAL AND USE THEREOF	中国科学院遗传与发育生物学研究所	2024-08-29	—	—	WO	disclosed