SCHEMBL30804653

CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)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](CCC(=O)O)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.59

▸	CRHR1	P34998	1/20	0.58

▸	CRHR2	Q13324	1/20	0.58

▸	PTH1R	Q03431	3/20	0.54

▸	GLP1R	P43220	7/20	0.54

▸	SCTR	P47872	1/20	0.54

▸	GCGR	P47871	3/20	0.52

▸	KEAP1	Q14145	1/20	0.51

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
SCHEMBL30432055	0.92	CALCR (0.59)	CALCRCRHR1CRHR2PTH1RGLP1R
SCHEMBL29994110	0.92	CALCR (0.58)	CALCRCRHR1CRHR2PTH1RGLP1R
SCHEMBL30778184	0.91	CALCR (0.60)	CALCRCRHR1CRHR2PTH1RGLP1R
SCHEMBL29726691	0.91	CALCR (0.60)	CALCRCRHR1CRHR2PTH1RGLP1R
SCHEMBL29880436	0.91	CALCR (0.60)	CALCRCRHR1CRHR2PTH1RGLP1R
SCHEMBL30431997	0.91	CALCR (0.66)	CALCRCRHR1CRHR2GLP1RSCTR
SCHEMBL29913342	0.90	GLP1R (0.56)	CALCRGLP1RSCTRGCGR
SCHEMBL30207768	0.90	GLP1R (0.56)	CALCRGLP1RSCTRGCGR
SCHEMBL30320200	0.90	GLP1R (0.56)	CALCRGLP1RSCTRGCGR
SCHEMBL30320221	0.90	GLP1R (0.56)	CALCRGLP1RSCTRGCGR

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
CN-117467671-A	Corn ear number regulation gene ZmEN1, expression product, excellent haplotype and application	河南农业大学	2024-01-30	—	—	CN	disclosed