SCHEMBL30824299

CC(C)C[C@H](NC(=O)[C@@H](N)[C@@H](C)O)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(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.62

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.61

▸	OPRM1	P35372	2/20	0.60

▸	OPRD1	P41143	2/20	0.60

▸	OPRK1	P41145	2/20	0.60

▸	RAMP3	O60896	1/20	0.60

▸	NPY2R	P49146	8/20	0.59

▸	NPY4R	P50391	8/20	0.59

▸	NPY5R	Q15761	8/20	0.59

▸	NPY1R	P25929	6/20	0.59

▸	NMUR2	Q9GZQ4	1/20	0.57

▸	NMUR1	Q9HB89	1/20	0.57

▸	TFPI	P10646	1/20	0.56

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
SCHEMBL29679890	0.91	OPRM1 (0.63)	CALCROPRM1OPRD1OPRK1RAMP3
SCHEMBL29949429	0.90	TFPI (0.62)	CALCROPRM1OPRD1OPRK1NPY2R
SCHEMBL30658245	0.89	CALCR (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29814967	0.89	CALCR (0.60)	CALCROPRM1OPRD1OPRK1NPY2R
SCHEMBL30804661	0.89	NPY2R (0.61)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31688332	0.88	OPRM1 (0.61)	CALCROPRM1OPRD1OPRK1RAMP3
SCHEMBL30429125	0.88	NPY2R (0.59)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495652	0.88	CALCR (0.58)	CALCROPRM1OPRD1OPRK1NPY2R
SCHEMBL29610214	0.88	CALCR (0.62)	CALCROPRM1OPRD1OPRK1NPY2R
SCHEMBL31182528	0.88	CALCR (0.64)	CALCROPRM1OPRD1OPRK1NPY2R

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