SCHEMBL30420443

CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	2/20	0.50

▸	GCGR	P47871	1/20	0.50

▸	GIPR	P48546	1/20	0.50

▸	VIPR1	P32241	3/20	0.49

▸	BACE1	P56817	2/20	0.47

▸	VIPR2	P41587	5/20	0.47

▸	CCKBR	P32239	1/20	0.45

▸	TFPI	P10646	1/20	0.45

▸	PTH1R	Q03431	2/20	0.45

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
SCHEMBL30495729	0.91	TFPI (0.51)	GLP1RGCGRGIPRVIPR1BACE1
SCHEMBL29415975	0.89	GLP1R (0.50)	GLP1RGCGRGIPRVIPR1BACE1
SCHEMBL30262036	0.86	VIPR1 (0.52)	VIPR1BACE1VIPR2TFPI
SCHEMBL29901573	0.86	GLP1R (0.51)	GLP1RGCGRGIPRVIPR1BACE1
SCHEMBL29593987	0.86	NPY4R (0.47)	BACE1
SCHEMBL29901564	0.85	BACE1 (0.49)	GLP1RGCGRGIPRVIPR1BACE1
SCHEMBL31232429	0.84	GLP1R (0.49)	GLP1RGCGRGIPRVIPR1BACE1
SCHEMBL29742723	0.84	VIPR2 (0.49)	GLP1RGCGRGIPRVIPR1VIPR2
SCHEMBL30159395	0.84	BACE1 (0.51)	GLP1RGCGRGIPRVIPR1BACE1
SCHEMBL29777720	0.83	GLP1R (0.44)	GLP1RGCGRGIPRVIPR1BACE1

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-116350760-A	Application of CTL epitope peptide derived from new antigen ESR1 or encoding nucleic acid thereof in preparation of medicines	郑州大学	2023-06-30	—	—	CN	disclosed