SCHEMBL30365301

CSCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY4R	P50391	12/20	0.53

▸	NPY1R	P25929	7/20	0.53

▸	NPY2R	P49146	5/20	0.53

▸	NPY5R	Q15761	4/20	0.53

▸	BACE1	P56817	2/20	0.49

▸	BACE2	Q9Y5Z0	2/20	0.49

▸	EGFR	P00533	1/20	0.47

▸	IL1RN	P18510	1/20	0.47

▸	ERAP2	Q6P179	1/20	0.47

▸	IL23R	Q5VWK5	1/20	0.46

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
SCHEMBL30512531	0.92	IL23R (0.49)	NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL29836442	0.89	TFPI (0.55)	BACE1BACE2IL23R
SCHEMBL31575700	0.88	TFPI (0.55)	BACE1BACE2IL23R
SCHEMBL31211861	0.87	OPRD1 (0.49)	—
SCHEMBL29723863	0.86	NPY1R (0.50)	NPY4RNPY1RNPY2RNPY5RIL23R
SCHEMBL30439540	0.86	CD40 (0.47)	NPY4RNPY1RNPY2RNPY5R
SCHEMBL30471354	0.85	NPY4R (0.61)	NPY4RNPY1RNPY2RNPY5RIL1RN
SCHEMBL31722296	0.84	BACE1 (0.51)	BACE1BACE2
SCHEMBL29816050	0.84	OPRD1 (0.49)	NPY4RNPY1RNPY2RNPY5R
SCHEMBL29986347	0.84	OPRD1 (0.49)	NPY4RNPY1RNPY2RNPY5R

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-116064343-A	Aldehyde ketone reductase-glucose dehydrogenase co-expression recombinant bacterium and application thereof	浙江工业大学	2023-05-05	—	—	CN	disclosed