SCHEMBL29860042

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

nearest known ligand 0.57

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	15/20	0.57

▸	OPRM1	P35372	3/20	0.57

▸	OPRD1	P41143	3/20	0.57

▸	BACE2	Q9Y5Z0	4/20	0.56

▸	CTSD	P07339	1/20	0.56

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
SCHEMBL29860570	0.96	OPRM1 (0.60)	BACE1OPRM1OPRD1BACE2CTSD
SCHEMBL29860598	0.91	BACE1 (0.56)	BACE1OPRM1OPRD1BACE2CTSD
SCHEMBL29860241	0.91	OPRM1 (0.60)	BACE1OPRM1OPRD1BACE2CTSD
SCHEMBL30717683	0.91	BACE1 (0.61)	BACE1BACE2CTSD
SCHEMBL6377728	0.90	BACE1 (0.61)	BACE1OPRM1OPRD1BACE2CTSD
SCHEMBL6377734	0.90	BACE1 (0.61)	BACE1OPRM1OPRD1BACE2CTSD
SCHEMBL30717710	0.89	BACE1 (0.56)	BACE1BACE2CTSD
SCHEMBL29695612	0.88	BACE1 (0.67)	BACE1BACE2CTSD
SCHEMBL31307282	0.88	BACE1 (0.58)	BACE1OPRM1OPRD1BACE2CTSD
SCHEMBL29385423	0.87	LTA4H (0.58)	BACE1BACE2CTSD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-4291647-A1	SUBTILISIN VARIANTS AND THEIR USE	Fresenius Kabi iPSUM S.r.l. (IT)	2023-12-20	—	—	EP	disclosed
WO-2022171667-A1	SUBTILISIN VARIANTS AND THEIR USE	Fresenius Kabi Ipsum S.R.L. (IT)	2022-08-18	—	—	WO	disclosed