SCHEMBL30785677

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.58

▸	APLNR	P35414	2/20	0.58

▸	GLP1R	P43220	5/20	0.55

▸	CTSL	P07711	3/20	0.55

▸	CTSS	P25774	3/20	0.55

▸	CTSK	P43235	3/20	0.55

▸	CTSH	P09668	1/20	0.55

▸	C5AR1	P21730	1/20	0.53

▸	KEAP1	Q14145	1/20	0.53

▸	CRHR1	P34998	1/20	0.52

▸	CRHR2	Q13324	1/20	0.52

▸	NPY1R	P25929	1/20	0.52

▸	NPY2R	P49146	1/20	0.52

▸	NPY4R	P50391	1/20	0.52

▸	NPY5R	Q15761	1/20	0.52

▸	GCGR	P47871	4/20	0.51

▸	GIPR	P48546	4/20	0.51

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
SCHEMBL30785678	0.95	CALCR (0.62)	CALCRAPLNRGLP1RCTSLCTSS
SCHEMBL31464910	0.89	CALCR (0.71)	CALCRAPLNRGLP1RC5AR1CRHR1
SCHEMBL30565140	0.89	CALCR (0.68)	CALCRAPLNRGLP1RC5AR1KEAP1
SCHEMBL30565138	0.89	CALCR (0.68)	CALCRAPLNRGLP1RC5AR1KEAP1
SCHEMBL29949373	0.89	CALCR (0.70)	CALCRAPLNRGLP1RKEAP1CRHR1
SCHEMBL30358206	0.88	CALCR (0.70)	CALCRAPLNRGLP1RKEAP1CRHR1
SCHEMBL30495627	0.87	NPY2R (0.64)	CALCRNPY1RNPY2RNPY4RNPY5R
SCHEMBL30511758	0.87	CALCR (0.58)	CALCRAPLNRGLP1RCTSLCTSS
SCHEMBL29498123	0.87	NPY2R (0.61)	CALCRCRHR1CRHR2NPY1RNPY2R
SCHEMBL31362670	0.87	APLNR (0.58)	APLNRCTSLCTSSCTSKCTSH

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-117603329-A	Preparation method and application of succinylated KEAP1 antibody	西安吉译生物科技有限公司	2024-02-27	—	—	CN	disclosed