SCHEMBL30824282

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.63

▸	NPY4R	P50391	8/20	0.63

▸	NPY5R	Q15761	8/20	0.63

▸	NPY1R	P25929	6/20	0.63

▸	TFPI	P10646	3/20	0.57

▸	MAPK8	P45983	1/20	0.57

▸	MAPK9	P45984	1/20	0.57

▸	MAPK10	P53779	1/20	0.57

▸	CALCR	P30988	5/20	0.57

▸	RAMP3	O60896	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
SCHEMBL31182472	0.90	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29530732	0.90	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30648458	0.90	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30726570	0.90	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29588486	0.90	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30429012	0.89	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30607487	0.88	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182450	0.88	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182572	0.88	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30975049	0.88	CALCR (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR

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