SCHEMBL30824289

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)[C@@H](C)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.63

▸	F2	P00734	4/20	0.61

▸	CRHR1	P34998	1/20	0.59

▸	CRHR2	Q13324	1/20	0.59

▸	HCRTR1	O43613	1/20	0.58

▸	HCRTR2	O43614	1/20	0.58

▸	NPY2R	P49146	7/20	0.57

▸	NPY4R	P50391	7/20	0.57

▸	NPY5R	Q15761	7/20	0.57

▸	NPY1R	P25929	5/20	0.57

▸	NTSR2	O95665	1/20	0.54

▸	NTSR1	P30989	1/20	0.54

▸	SORT1	Q99523	1/20	0.54

▸	EP300	Q09472	1/20	0.54

▸	HIF1A	Q16665	1/20	0.54

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
SCHEMBL30997464	0.92	F2 (0.60)	CALCRF2CRHR1CRHR2NPY2R
SCHEMBL30432045	0.91	CALCR (0.65)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31683348	0.91	CALCR (0.69)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL29758433	0.90	F2 (0.56)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL29903351	0.89	CALCR (0.71)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL29811060	0.89	CALCR (0.66)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31688311	0.89	CALCR (0.59)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30495661	0.89	F2 (0.70)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31182828	0.89	CALCR (0.71)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL29903219	0.88	NPY2R (0.66)	CALCRCRHR1CRHR2HCRTR1HCRTR2

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-11925667-B2	Engineered therapeutic probiotic system and method	CHANG MATTHEW WOOK (SG)	2024-03-12	—	—	US	disclosed