SCHEMBL30199009

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CN)[C@@H](C)CC)C(C)C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.59

▸	MAPK9	P45984	1/20	0.59

▸	MAPK10	P53779	1/20	0.59

▸	NTSR1	P30989	3/20	0.55

▸	NTSR2	O95665	1/20	0.55

▸	KEAP1	Q14145	1/20	0.55

▸	REN	P00797	3/20	0.54

▸	F2	P00734	2/20	0.54

▸	APLNR	P35414	1/20	0.54

▸	OPRM1	P35372	5/20	0.53

▸	OPRK1	P41145	5/20	0.53

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
SCHEMBL29525763	0.90	KDM1A (0.63)	MAPK8MAPK9MAPK10
SCHEMBL30495738	0.88	NPY2R (0.61)	MAPK8MAPK9MAPK10KEAP1F2
SCHEMBL29572169	0.87	MAPK8 (0.59)	MAPK8MAPK9MAPK10
SCHEMBL31544752	0.87	TFPI (0.60)	MAPK8MAPK9MAPK10KEAP1
SCHEMBL30199479	0.87	NPY1R (0.58)	KEAP1
SCHEMBL30312779	0.87	NTSR1 (0.72)	NTSR1NTSR2
SCHEMBL31182651	0.87	NPY2R (0.61)	MAPK8MAPK9MAPK10
SCHEMBL29553166	0.86	NPY2R (0.59)	NTSR1
SCHEMBL30974287	0.86	MAPK8 (0.60)	MAPK8MAPK9MAPK10NTSR1KEAP1
SCHEMBL31206300	0.86	EPHA2 (0.58)	MAPK8MAPK9MAPK10APLNROPRM1

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
EP-4121547-A1	METHODS AND BIOLOGICAL SYSTEMS FOR DISCOVERING AND OPTIMIZING LASSO PEPTIDES	Lassogen, Inc. (US)	2023-01-25	—	—	EP	disclosed