SCHEMBL8427711

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

nearest known ligand 0.56

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	2/20	0.56

▸	GLP1R	P43220	5/20	0.52

▸	SCTR	P47872	1/20	0.52

▸	BACE1	P56817	4/20	0.51

▸	BACE2	Q9Y5Z0	3/20	0.51

▸	VIPR2	P41587	5/20	0.50

▸	VIPR1	P32241	2/20	0.50

▸	GCGR	P47871	1/20	0.50

▸	GIPR	P48546	1/20	0.50

▸	IL23R	Q5VWK5	1/20	0.50

▸	APLNR	P35414	1/20	0.49

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
SCHEMBL29742728	0.92	VIPR2 (0.57)	KEAP1GLP1RSCTRVIPR2VIPR1
SCHEMBL29934195	0.89	GLP1R (0.51)	KEAP1GLP1RSCTRVIPR2VIPR1
SCHEMBL7454951	0.89	GLP1R (0.55)	KEAP1GLP1RSCTRVIPR2VIPR1
SCHEMBL7454936	0.89	GLP1R (0.55)	KEAP1GLP1RSCTRVIPR2VIPR1
SCHEMBL29797106	0.88	KEAP1 (0.54)	KEAP1GLP1RBACE1VIPR2VIPR1
SCHEMBL30576930	0.88	KEAP1 (0.61)	KEAP1GLP1RVIPR2
SCHEMBL7447496	0.88	GLP1R (0.53)	KEAP1GLP1RSCTRVIPR2VIPR1
SCHEMBL7447502	0.88	GLP1R (0.53)	KEAP1GLP1RSCTRVIPR2VIPR1
SCHEMBL29528965	0.88	VIPR2 (0.62)	KEAP1GLP1RVIPR2VIPR1
SCHEMBL31603936	0.88	GLP1R (0.62)	KEAP1GLP1RSCTRGCGRGIPR

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-5859187-A	Antiviral peptides	E. R. SQUIBB & SONS, INC. (US)	1999-01-12	—	—	US	disclosed