SCHEMBL30429242

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.66

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.63

▸	HCRTR1	O43613	1/20	0.56

▸	HCRTR2	O43614	1/20	0.56

▸	EP300	Q09472	1/20	0.56

▸	HIF1A	Q16665	1/20	0.56

▸	F2	P00734	4/20	0.56

▸	CRHR1	P34998	1/20	0.55

▸	CRHR2	Q13324	1/20	0.55

▸	NPY2R	P49146	7/20	0.55

▸	NPY4R	P50391	7/20	0.55

▸	NPY5R	Q15761	7/20	0.55

▸	NPY1R	P25929	5/20	0.55

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
SCHEMBL30607374	0.92	CALCR (0.58)	CALCRHCRTR1HCRTR2EP300HIF1A
SCHEMBL30712939	0.91	EP300 (0.67)	CALCRHCRTR1HCRTR2EP300HIF1A
SCHEMBL31000946	0.91	CALCR (0.64)	CALCRHCRTR1HCRTR2EP300HIF1A
SCHEMBL30726592	0.90	CALCR (0.62)	CALCRHCRTR1HCRTR2EP300HIF1A
SCHEMBL30906353	0.90	CALCR (0.59)	CALCREP300HIF1AF2NPY2R
SCHEMBL30277935	0.90	CALCR (0.61)	CALCRHCRTR1HCRTR2EP300HIF1A
SCHEMBL30712880	0.89	CALCR (0.61)	CALCRHCRTR1HCRTR2EP300HIF1A
SCHEMBL30567772	0.89	CALCR (0.74)	CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL30277946	0.89	CALCR (0.60)	CALCREP300HIF1A
SCHEMBL30887979	0.88	CALCR (0.65)	CALCREP300HIF1ACRHR1CRHR2

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-20230165951-A1	Engineering, production and characterization of plant produced Nucleocapsid and Spike structural proteins of SARS CoV 2 as vaccine candidates against COVID19	MAMEDOV TARLAN (TR)	2023-06-01	—	—	US	disclosed