SCHEMBL30363072

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

nearest known ligand 0.67

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	1/20	0.58

▸	CRHR1	P34998	1/20	0.58

▸	CRHR2	Q13324	1/20	0.58

▸	CALCR	P30988	3/20	0.57

▸	NPY2R	P49146	8/20	0.55

▸	NPY4R	P50391	8/20	0.55

▸	NPY5R	Q15761	8/20	0.55

▸	NPY1R	P25929	6/20	0.55

▸	AGTR2	P50052	3/20	0.53

▸	AGTR1	P30556	2/20	0.53

▸	CXCL8	P10145	2/20	0.53

▸	TFPI	P10646	1/20	0.52

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
SCHEMBL30363005	1.00	BACE1 (0.58)	BACE1CRHR1CRHR2CALCRNPY2R
SCHEMBL30761771	1.00	BACE1 (0.58)	BACE1CRHR1CRHR2CALCRNPY2R
SCHEMBL30362923	1.00	BACE1 (0.58)	BACE1CRHR1CRHR2CALCRNPY2R
SCHEMBL29693043	1.00	BACE1 (0.58)	BACE1CRHR1CRHR2CALCRNPY2R
SCHEMBL30362943	1.00	BACE1 (0.58)	BACE1CRHR1CRHR2CALCRNPY2R
SCHEMBL29626845	1.00	BACE1 (0.58)	BACE1CRHR1CRHR2CALCRNPY2R
SCHEMBL30362994	0.99	BACE1 (0.58)	BACE1CRHR1CRHR2CALCRNPY2R
SCHEMBL30363074	0.99	BACE1 (0.58)	BACE1CRHR1CRHR2CALCRNPY2R
SCHEMBL29501059	0.99	BACE1 (0.59)	BACE1CRHR1CRHR2CALCRNPY2R
SCHEMBL30362874	0.99	CALCR (0.58)	BACE1CRHR1CRHR2CALCRNPY2R

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-116162128-A	Nucleoside derivative for resisting virus infection and preparation method and application thereof	知和(山东)大药厂有限公司	2023-05-26	—	—	CN	disclosed