SCHEMBL31148810

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCC(N)=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](CCC(=O)O)C(=O)O)C(C)C)C(C)C)[C@@H](C)O

nearest known ligand 0.76

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	11/20	0.68

▸	GCGR	P47871	9/20	0.68

▸	CXCR4	P61073	3/20	0.66

▸	GIPR	P48546	6/20	0.65

▸	KEAP1	Q14145	1/20	0.65

▸	NPY1R	P25929	1/20	0.65

▸	NPY2R	P49146	1/20	0.65

▸	NPY4R	P50391	1/20	0.65

▸	NPY5R	Q15761	1/20	0.65

▸	CCKBR	P32239	2/20	0.62

▸	CALCA	P06881	1/20	0.62

▸	C5AR1	P21730	1/20	0.62

▸	CALCR	P30988	1/20	0.62

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
SCHEMBL30658376	0.92	NPY1R (0.70)	GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL30721620	0.92	NPY1R (0.72)	GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL30721558	0.92	NPY1R (0.72)	GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL30721629	0.92	GLP1R (0.70)	GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL30721577	0.92	NPY1R (0.71)	GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL30721578	0.92	NPY1R (0.71)	GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL30721573	0.92	NPY1R (0.72)	GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL30721579	0.92	NPY1R (0.72)	GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL30721635	0.91	GLP1R (0.70)	GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL31182863	0.91	C5AR1 (0.70)	GLP1RGCGRCXCR4GIPRNPY1R

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