SCHEMBL30958882

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.69

▸	GLP1R	P43220	13/20	0.68

▸	CCKBR	P32239	2/20	0.68

▸	NPY1R	P25929	1/20	0.67

▸	NPY2R	P49146	1/20	0.67

▸	NPY4R	P50391	1/20	0.67

▸	NPY5R	Q15761	1/20	0.67

▸	GIPR	P48546	6/20	0.65

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
SCHEMBL30567706	0.96	GLP1R (0.70)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL31148836	0.95	CALCR (0.70)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL30712940	0.94	GLP1R (0.68)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL29679866	0.94	NPY1R (0.72)	CALCRGLP1RNPY1RNPY2RNPY4R
SCHEMBL30906422	0.93	NPY1R (0.68)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL30567740	0.93	GLP1R (0.70)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL31656488	0.93	NPY1R (0.66)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL30831408	0.92	NPY1R (0.68)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL30906380	0.92	NPY1R (0.68)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL30658240	0.92	NPY2R (0.74)	CALCRGLP1RCCKBRNPY1RNPY2R

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-117903278-A	Scorpion venom polypeptide LmTx-1 and application thereof	湖南师范大学	2024-04-19	—	—	CN	disclosed