SCHEMBL30242956

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	9/20	0.60

▸	CTSD	P07339	2/20	0.53

▸	OPRM1	P35372	2/20	0.53

▸	OPRD1	P41143	2/20	0.53

▸	OPRK1	P41145	1/20	0.53

▸	CTSB	P07858	1/20	0.53

▸	BACE2	Q9Y5Z0	1/20	0.52

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
SCHEMBL31707293	0.94	BACE1 (0.59)	BACE1CTSDOPRM1OPRD1OPRK1
SCHEMBL29689231	0.92	BACE1 (0.55)	BACE1CTSDOPRM1OPRD1OPRK1
SCHEMBL38662780	0.89	CTSD (0.58)	CTSDOPRM1OPRD1OPRK1CTSB
SCHEMBL30512615	0.88	BACE1 (0.59)	BACE1CTSDOPRM1OPRD1BACE2
SCHEMBL30242907	0.88	KISS1R (0.62)	OPRM1OPRD1OPRK1
SCHEMBL29608731	0.86	OPRD1 (0.55)	BACE1OPRM1OPRD1OPRK1BACE2
SCHEMBL30242913	0.86	KISS1R (0.61)	BACE1OPRM1OPRD1OPRK1
SCHEMBL31415943	0.85	BACE1 (0.54)	BACE1CTSD
SCHEMBL30293353	0.85	F2 (0.54)	BACE1OPRM1OPRD1OPRK1
SCHEMBL31307279	0.84	BACE1 (0.52)	BACE1OPRM1OPRD1OPRK1

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
WO-2023018782-A1	METHODS TO DETERMINE CD4+ MEMORY T CELL RESPONSES TO SARS-COV-2 INFECTION OR VACCINATION	ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US)	2023-02-16	—	—	WO	claimed