SCHEMBL31148823

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

nearest known ligand 0.76

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	13/20	0.69

▸	GCGR	P47871	8/20	0.69

▸	CALCR	P30988	3/20	0.68

▸	GIPR	P48546	5/20	0.68

▸	CXCR4	P61073	1/20	0.67

▸	KEAP1	Q14145	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
SCHEMBL31146727	0.94	CALCR (0.74)	GLP1RGCGRCALCRGIPRKEAP1
SCHEMBL30658306	0.93	KEAP1 (0.72)	GLP1RGCGRCALCRGIPRKEAP1
SCHEMBL30422794	0.93	GLP1R (0.74)	GLP1RGCGRCALCRGIPRKEAP1
SCHEMBL30466130	0.93	GLP1R (0.69)	GLP1RGCGRCALCRGIPRKEAP1
SCHEMBL30423442	0.93	GLP1R (0.73)	GLP1RGCGRCALCRGIPRKEAP1
SCHEMBL30422908	0.93	GLP1R (0.73)	GLP1RGCGRCALCRGIPRKEAP1
SCHEMBL30423071	0.93	GLP1R (0.73)	GLP1RGCGRCALCRGIPRKEAP1
SCHEMBL30466128	0.93	CALCR (0.70)	GLP1RGCGRCALCRGIPRKEAP1
SCHEMBL29595302	0.92	CALCR (0.74)	GLP1RGCGRCALCRGIPRKEAP1
SCHEMBL31139990	0.92	GLP1R (0.77)	GLP1RGCGRCALCRGIPR

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