SCHEMBL31148884

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CS)C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.79

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.79

▸	GLP1R	P43220	9/20	0.71

▸	CCKBR	P32239	4/20	0.71

▸	CRHR1	P34998	1/20	0.67

▸	CRHR2	Q13324	1/20	0.67

▸	GCGR	P47871	3/20	0.66

▸	NPY1R	P25929	1/20	0.65

▸	NPY2R	P49146	1/20	0.65

▸	NPY4R	P50391	1/20	0.65

▸	NPY5R	Q15761	1/20	0.65

▸	HCRTR1	O43613	1/20	0.65

▸	HCRTR2	O43614	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
SCHEMBL30658354	0.95	CALCR (0.79)	CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL30537032	0.94	CALCR (0.78)	CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL31000889	0.93	GLP1R (0.71)	CALCRGLP1RCCKBRGCGRNPY1R
SCHEMBL30771981	0.93	CALCR (0.77)	CALCRGLP1RCCKBRGCGRNPY1R
SCHEMBL30658237	0.92	CALCR (0.76)	CALCRGLP1RCCKBRGCGRNPY1R
SCHEMBL30658401	0.92	CALCR (0.75)	CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL31027131	0.92	CALCR (0.76)	CALCRGLP1RCCKBRGCGRNPY1R
SCHEMBL29827295	0.92	CALCR (0.73)	CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL30159330	0.92	CALCR (0.73)	CALCRGLP1RCCKBRGCGRNPY1R
SCHEMBL29843716	0.92	CALCR (0.76)	CALCRGLP1RCCKBRGCGRNPY1R

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-118772274-A	Hybridoma cell strain, antibody and kit for generating human epidermal growth factor receptor 2 (HER 2) monoclonal antibody and application thereof	江南大学	2024-10-15	—	—	CN	disclosed