SCHEMBL30511758

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)[C@@H](C)CC

nearest known ligand 0.60

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.58

▸	KEAP1	Q14145	1/20	0.57

▸	APLNR	P35414	1/20	0.56

▸	CTSL	P07711	2/20	0.55

▸	CTSS	P25774	2/20	0.55

▸	CTSK	P43235	2/20	0.55

▸	CTSH	P09668	1/20	0.55

▸	GLP1R	P43220	6/20	0.54

▸	GCGR	P47871	5/20	0.54

▸	GIPR	P48546	5/20	0.54

▸	CRHR1	P34998	1/20	0.54

▸	CRHR2	Q13324	1/20	0.54

▸	NPY2R	P49146	4/20	0.54

▸	NPY4R	P50391	4/20	0.54

▸	NPY5R	Q15761	4/20	0.54

▸	NPY1R	P25929	3/20	0.54

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
SCHEMBL30567004	0.98	CALCR (0.61)	CALCRKEAP1APLNRCTSLCTSS
SCHEMBL30511756	0.94	CTSL (0.56)	CALCRKEAP1APLNRCTSLCTSS
SCHEMBL10492942	0.92	CALCR (0.64)	CALCRKEAP1GLP1RGCGRGIPR
SCHEMBL29453930	0.91	APLNR (0.60)	CALCRKEAP1APLNRCTSLCTSS
SCHEMBL29374929	0.91	APLNR (0.61)	CALCRAPLNRCTSLCTSSCTSK
SCHEMBL30262103	0.91	F2 (0.60)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182700	0.90	CALCR (0.68)	CALCRKEAP1APLNRGLP1RGCGR
SCHEMBL31182551	0.89	CALCR (0.68)	CALCRAPLNRGLP1RGCGRCRHR1
SCHEMBL30565140	0.89	CALCR (0.68)	CALCRKEAP1APLNRGLP1RGCGR
SCHEMBL30565138	0.89	CALCR (0.68)	CALCRKEAP1APLNRGLP1RGCGR

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-116478270-A	Notch1 fragment peptides and their anti-leukemia effect	浙江理工大学	2023-07-25	—	—	CN	disclosed