SCHEMBL30721582

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.76

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	6/20	0.76

▸	F2	P00734	4/20	0.67

▸	HCRTR1	O43613	1/20	0.66

▸	HCRTR2	O43614	1/20	0.66

▸	NPY2R	P49146	7/20	0.65

▸	NPY4R	P50391	7/20	0.65

▸	NPY5R	Q15761	7/20	0.65

▸	NPY1R	P25929	5/20	0.65

▸	RAMP1	O60894	1/20	0.65

▸	RAMP2	O60895	1/20	0.65

▸	RAMP3	O60896	1/20	0.65

▸	CALCRL	Q16602	1/20	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
SCHEMBL30721659	1.00	CALCR (0.76)	CALCRF2HCRTR1HCRTR2NPY2R
SCHEMBL30721613	0.99	CALCR (0.76)	CALCRF2HCRTR1HCRTR2NPY2R
SCHEMBL30721550	0.99	CALCR (0.76)	CALCRF2HCRTR1HCRTR2NPY2R
SCHEMBL30721562	0.99	CALCR (0.76)	CALCRF2HCRTR1HCRTR2NPY2R
SCHEMBL30721567	0.99	CALCR (0.76)	CALCRF2HCRTR1HCRTR2NPY2R
SCHEMBL30721552	0.98	CALCR (0.76)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL30721598	0.98	CALCR (0.76)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL30721584	0.96	CALCR (0.72)	CALCRF2HCRTR1HCRTR2NPY2R
SCHEMBL30686820	0.96	CALCR (0.76)	CALCRF2HCRTR1HCRTR2NPY2R
SCHEMBL29494575	0.96	CALCR (0.76)	CALCRF2HCRTR1HCRTR2NPY2R

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-117402256-A	Protein dimers consisting of GLP-1 and EGF (A) analogues	乐普（北京）医疗器械股份有限公司	2024-01-16	—	—	CN	disclosed