SCHEMBL30466127

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)CC)C(C)C

nearest known ligand 0.73

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	11/20	0.69

▸	CALCR	P30988	3/20	0.67

▸	NPY1R	P25929	1/20	0.67

▸	NPY2R	P49146	1/20	0.67

▸	NPY4R	P50391	1/20	0.67

▸	NPY5R	Q15761	1/20	0.67

▸	GCGR	P47871	8/20	0.66

▸	GIPR	P48546	5/20	0.66

▸	CXCR4	P61073	2/20	0.66

▸	CCKBR	P32239	2/20	0.64

▸	KEAP1	Q14145	1/20	0.64

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
SCHEMBL30495625	0.98	CXCR4 (0.67)	GLP1RCALCRNPY1RNPY2RNPY4R
SCHEMBL30466130	0.96	GLP1R (0.69)	GLP1RCALCRNPY1RNPY2RNPY4R
SCHEMBL30466128	0.94	CALCR (0.70)	GLP1RCALCRNPY1RNPY2RNPY4R
SCHEMBL31457380	0.94	CXCR4 (0.70)	GLP1RCALCRNPY1RNPY2RNPY4R
SCHEMBL30159330	0.93	CALCR (0.73)	GLP1RCALCRNPY1RNPY2RNPY4R
SCHEMBL30432727	0.93	APLNR (0.63)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30658237	0.92	CALCR (0.76)	GLP1RCALCRNPY1RNPY2RNPY4R
SCHEMBL30658311	0.92	CALCR (0.67)	GLP1RCALCRNPY1RNPY2RNPY4R
SCHEMBL31182991	0.92	CALCR (0.69)	GLP1RCALCRNPY1RNPY2RNPY4R
SCHEMBL31027131	0.92	CALCR (0.76)	GLP1RCALCRNPY1RNPY2RNPY4R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116217693-B	Conus toxin exosome and application thereof	广东扶生肽生物科技有限公司	2023-11-03	—	—	CN	claimed
CN-116217693-A	Conus toxin exosome and application thereof	广东扶生肽生物科技有限公司	2023-06-06	—	—	CN	claimed