SCHEMBL30824291

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

nearest known ligand 0.62

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.57

▸	CRHR1	P34998	1/20	0.56

▸	CRHR2	Q13324	1/20	0.56

▸	EP300	Q09472	1/20	0.56

▸	HIF1A	Q16665	1/20	0.56

▸	NPY2R	P49146	6/20	0.55

▸	NPY4R	P50391	6/20	0.55

▸	NPY5R	Q15761	6/20	0.55

▸	NPY1R	P25929	4/20	0.55

▸	GLP1R	P43220	6/20	0.55

▸	GIPR	P48546	6/20	0.55

▸	TFPI	P10646	1/20	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
SCHEMBL31182741	0.88	CALCR (0.62)	CALCREP300HIF1ANPY2RNPY4R
SCHEMBL30607299	0.86	CALCR (0.57)	CALCREP300HIF1ANPY2RNPY4R
SCHEMBL31000910	0.86	TFPI (0.62)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30804663	0.85	OPRM1 (0.58)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30804645	0.85	CALCR (0.59)	CALCREP300HIF1ANPY2RNPY4R
SCHEMBL30495733	0.85	EP300 (0.66)	CALCRCRHR1CRHR2EP300HIF1A
SCHEMBL30726573	0.85	CALCR (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29814922	0.84	NPY2R (0.61)	CALCREP300HIF1ANPY2RNPY4R
SCHEMBL30966632	0.84	NPY2R (0.59)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29410248	0.84	NPY2R (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R

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