SCHEMBL29453248

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

nearest known ligand 0.51

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	2/20	0.51

▸	CTSD	P07339	1/20	0.51

▸	APLNR	P35414	1/20	0.49

▸	GLP1R	P43220	6/20	0.48

▸	GIPR	P48546	6/20	0.48

▸	NPY2R	P49146	7/20	0.47

▸	NPY4R	P50391	7/20	0.47

▸	NPY5R	Q15761	7/20	0.47

▸	NPY1R	P25929	5/20	0.47

▸	OPRM1	P35372	3/20	0.47

▸	OPRD1	P41143	3/20	0.47

▸	OPRK1	P41145	3/20	0.47

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
SCHEMBL30198245	1.00	BACE1 (0.51)	BACE1CTSDAPLNRGLP1RGIPR
SCHEMBL30414165	0.88	NTSR1 (0.49)	BACE1CTSDNPY2RNPY4RNPY5R
SCHEMBL30974359	0.87	BACE1 (0.53)	BACE1CTSDNPY2RNPY4RNPY5R
SCHEMBL29855903	0.86	NPY2R (0.53)	APLNRGLP1RGIPRNPY2RNPY4R
SCHEMBL30400667	0.85	CALCRL (0.49)	BACE1CTSDNPY2RNPY4RNPY5R
SCHEMBL30401223	0.85	CALCRL (0.49)	BACE1CTSDNPY2RNPY4RNPY5R
SCHEMBL30401358	0.85	CALCRL (0.50)	BACE1CTSDNPY2RNPY4RNPY5R
SCHEMBL30400966	0.85	CALCRL (0.50)	BACE1CTSDNPY2RNPY4RNPY5R
SCHEMBL30399534	0.85	CALCRL (0.50)	BACE1CTSDNPY2RNPY4RNPY5R
SCHEMBL30400261	0.84	CALCRL (0.49)	BACE1CTSDNPY2RNPY4RNPY5R

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-114028537-A	A pharmaceutical composition containing SVHRSP scorpion venom peptide and its preparation method	上海万锦医药科技有限公司	2022-02-11	—	—	CN	disclosed