SCHEMBL30436159

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	2/20	0.50

▸	NMUR1	Q9HB89	1/20	0.50

▸	CTSD	P07339	2/20	0.46

▸	BACE1	P56817	2/20	0.46

▸	NTSR2	O95665	10/20	0.44

▸	NTSR1	P30989	10/20	0.44

▸	SORT1	Q99523	10/20	0.44

▸	CAPN1	P07384	2/20	0.42

▸	NPY1R	P25929	1/20	0.42

▸	MAPK8	P45983	1/20	0.42

▸	MAPK9	P45984	1/20	0.42

▸	MAPK10	P53779	1/20	0.42

▸	GRB2	P62993	1/20	0.42

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
SCHEMBL30436704	0.98	NMUR2 (0.49)	NMUR2NMUR1CTSDBACE1NTSR2
SCHEMBL30437172	0.97	NMUR2 (0.51)	NMUR2NMUR1CTSDBACE1NTSR2
SCHEMBL30435100	0.88	CAPN1 (0.45)	NMUR2NTSR2NTSR1SORT1CAPN1
SCHEMBL30987366	0.88	CAPN1 (0.46)	NMUR2NMUR1CTSDBACE1CAPN1
SCHEMBL30612514	0.87	CAPN1 (0.48)	NMUR2NMUR1NTSR2NTSR1SORT1
SCHEMBL30436677	0.86	NMUR2 (0.44)	NMUR2NMUR1CTSDBACE1NTSR2
SCHEMBL31663427	0.86	BACE1 (0.47)	NMUR2NMUR1CTSDBACE1MAPK8
SCHEMBL30987367	0.86	CAPN1 (0.45)	NMUR2NMUR1NTSR2NTSR1CAPN1
SCHEMBL30987362	0.86	NMUR2 (0.47)	NMUR2NMUR1NTSR2NTSR1SORT1
SCHEMBL31057988	0.85	NMUR2 (0.44)	NMUR2NMUR1CTSDNTSR2NTSR1

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
CN-116106271-A	Method for screening umami peptide	上海市农业科学院	2023-05-12	—	—	CN	disclosed