SCHEMBL9437211

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

nearest known ligand 0.64

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	18/20	0.64

▸	BACE2	Q9Y5Z0	5/20	0.63

▸	CTSD	P07339	1/20	0.55

▸	VIPR2	P41587	1/20	0.52

▸	CALCRL	Q16602	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
SCHEMBL9437208	0.94	BACE1 (0.61)	BACE1BACE2VIPR2
SCHEMBL9437247	0.94	BACE1 (0.61)	BACE1BACE2VIPR2
SCHEMBL9437205	0.94	BACE1 (0.61)	BACE1BACE2VIPR2
SCHEMBL9437222	0.94	BACE1 (0.61)	BACE1BACE2VIPR2
SCHEMBL9437224	0.91	BACE1 (0.60)	BACE1BACE2CTSDVIPR2
SCHEMBL9437210	0.88	BACE1 (0.67)	BACE1BACE2VIPR2
SCHEMBL30369274	0.87	BACE1 (0.67)	BACE1BACE2CTSD
SCHEMBL30369388	0.87	BACE1 (0.68)	BACE1BACE2CTSD
SCHEMBL8827175	0.86	OPRD1 (0.59)	BACE1BACE2CALCRL
SCHEMBL31474354	0.86	BACE1 (0.69)	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-0584244-A1	PEPTIDE INHIBITORS OF INFLAMMATION	THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US)	1994-03-02	—	—	EP	disclosed
WO-1992020708-A1	PEPTIDE INHIBITORS OF INFLAMMATION	BOARD OF REGENTS FOR THE UNIVERSITY OF OKLAHOMA (US)	1992-11-26	—	—	WO	disclosed