SCHEMBL31295722

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.65

▸	HCRTR1	O43613	1/20	0.57

▸	HCRTR2	O43614	1/20	0.57

▸	KEAP1	Q14145	1/20	0.56

▸	CCKBR	P32239	2/20	0.55

▸	GLP1R	P43220	2/20	0.55

▸	F2	P00734	4/20	0.54

▸	CRHR1	P34998	1/20	0.54

▸	CRHR2	Q13324	1/20	0.54

▸	APLNR	P35414	1/20	0.53

▸	NPY2R	P49146	4/20	0.52

▸	NPY4R	P50391	4/20	0.52

▸	NPY5R	Q15761	4/20	0.52

▸	NPY1R	P25929	3/20	0.52

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
SCHEMBL29903306	0.89	CALCR (0.66)	CALCRHCRTR1HCRTR2KEAP1CCKBR
SCHEMBL31222181	0.88	CALCR (0.64)	CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL29597451	0.88	CALCR (0.66)	CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL31182860	0.86	CALCR (0.77)	CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL30903286	0.86	KEAP1 (0.60)	CALCRKEAP1
SCHEMBL31518668	0.86	CALCR (0.62)	CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL30437151	0.86	F2 (0.63)	CALCRHCRTR1HCRTR2KEAP1F2
SCHEMBL30495705	0.85	CALCR (0.69)	CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL30432185	0.85	CALCR (0.65)	CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL31664360	0.85	CALCR (0.66)	CALCRHCRTR1HCRTR2CCKBRGLP1R

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-119120488-A	Corn internode length regulation gene ZmIL, expression product, excellent haplotype and application thereof in corn breeding	河南农业大学	2024-12-13	—	—	CN	disclosed