SCHEMBL30262231

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

nearest known ligand 0.60

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	6/20	0.60

▸	CALCRL	Q16602	3/20	0.57

▸	OPRM1	P35372	2/20	0.56

▸	OPRD1	P41143	2/20	0.56

▸	OPRK1	P41145	2/20	0.56

▸	RAMP1	O60894	1/20	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
SCHEMBL30903286	0.92	KEAP1 (0.60)	KEAP1CALCRLOPRM1OPRD1OPRK1
SCHEMBL31688352	0.89	OPRD1 (0.60)	KEAP1OPRM1OPRD1OPRK1
SCHEMBL30906344	0.88	KEAP1 (0.59)	KEAP1
SCHEMBL30903275	0.88	KEAP1 (0.60)	KEAP1CALCRLRAMP1
SCHEMBL29827447	0.87	KEAP1 (0.62)	KEAP1
SCHEMBL30906484	0.87	TFPI (0.59)	OPRM1OPRD1OPRK1
SCHEMBL30358154	0.87	CALCR (0.64)	OPRM1OPRD1OPRK1
SCHEMBL30906362	0.86	KEAP1 (0.57)	KEAP1OPRM1OPRD1OPRK1
SCHEMBL30726589	0.86	CRHR1 (0.57)	OPRM1OPRD1OPRK1
SCHEMBL31182993	0.86	OPRM1 (0.65)	KEAP1OPRM1OPRD1OPRK1

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-20230040544-A1	COMPOSITIONS AND METHODS FOR RESTORING AND MAINTAINING THE DYSTROPHIN-ASSOCIATED PROTEIN COMPLEX (DAPC)	SAREPTA THERAPEUTICS, INC.	2023-02-09	—	—	US	disclosed