SCHEMBL11574527

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	14/20	0.63

▸	SCTR	P47872	1/20	0.63

▸	KEAP1	Q14145	1/20	0.60

▸	GCGR	P47871	1/20	0.58

▸	TFPI	P10646	1/20	0.57

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
SCHEMBL11578343	0.99	GLP1R (0.63)	GLP1RSCTRKEAP1GCGR
SCHEMBL11577459	0.97	GLP1R (0.63)	GLP1RSCTRKEAP1GCGR
SCHEMBL11578656	0.97	GLP1R (0.61)	GLP1RSCTRKEAP1GCGR
SCHEMBL11575154	0.97	GLP1R (0.61)	GLP1RSCTRKEAP1GCGR
SCHEMBL29699083	0.95	GLP1R (0.70)	GLP1RSCTRGCGR
SCHEMBL29366161	0.94	GLP1R (0.69)	GLP1RSCTRGCGRTFPI
SCHEMBL30779354	0.94	GLP1R (0.67)	GLP1RSCTRGCGR
Hydrochloric Acid SCHEMBL29726888	0.94	GLP1R (0.68)	GLP1RSCTRGCGRTFPI
SCHEMBL8973690	0.93	GLP1R (0.60)	GLP1RSCTRKEAP1GCGRTFPI
SCHEMBL31743239	0.92	GLP1R (0.68)	GLP1RSCTR

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
US-4086220-A	GASTRIC ANTISECRETORY AGENTS	G. D. SEARLE & CO. (US)	1978-04-25	—	—	US	claimed