SCHEMBL31148882

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

nearest known ligand 0.78

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.78

▸	GLP1R	P43220	6/20	0.66

▸	GCGR	P47871	3/20	0.66

▸	CRHR1	P34998	1/20	0.65

▸	CRHR2	Q13324	1/20	0.65

▸	HCRTR1	O43613	1/20	0.64

▸	HCRTR2	O43614	1/20	0.64

▸	NPY2R	P49146	4/20	0.63

▸	NPY4R	P50391	4/20	0.63

▸	NPY5R	Q15761	4/20	0.63

▸	NPY1R	P25929	3/20	0.63

▸	CCKBR	P32239	2/20	0.63

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
SCHEMBL29494575	0.94	CALCR (0.76)	CALCRGLP1RHCRTR1HCRTR2NPY2R
SCHEMBL30686827	0.94	CALCR (0.76)	CALCRGLP1RHCRTR1HCRTR2NPY2R
SCHEMBL30686820	0.94	CALCR (0.76)	CALCRGLP1RHCRTR1HCRTR2NPY2R
SCHEMBL30495758	0.93	CALCR (0.72)	CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL29416142	0.93	CALCR (0.72)	CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL30658357	0.92	CALCR (0.75)	CALCRGLP1RCRHR1CRHR2HCRTR1
SCHEMBL29724187	0.92	CALCR (0.79)	CALCRGLP1RGCGRCRHR1CRHR2
SCHEMBL29908246	0.92	CALCR (0.74)	CALCRGLP1RGCGRHCRTR1HCRTR2
SCHEMBL31006042	0.92	CALCR (0.74)	CALCRGLP1RGCGRCRHR1CRHR2
SCHEMBL30495810	0.92	CALCR (0.71)	CALCRGLP1RGCGRCRHR1CRHR2

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