SCHEMBL29679705

CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O

nearest known ligand 0.43

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	9/20	0.43

▸	CTSD	P07339	4/20	0.43

▸	NPY4R	P50391	4/20	0.40

▸	NPY1R	P25929	3/20	0.40

▸	NPY2R	P49146	2/20	0.40

▸	NPY5R	Q15761	2/20	0.40

▸	IL23R	Q5VWK5	1/20	0.38

▸	ECE1	P42892	1/20	0.37

▸	FNTA	P49354	3/20	0.37

▸	FNTB	P49356	3/20	0.37

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
SCHEMBL29679715	0.95	BACE1 (0.41)	BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL29854189	0.90	BACE1 (0.46)	BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL30812336	0.89	NPY4R (0.46)	NPY4RNPY1RNPY2RNPY5RFNTA
SCHEMBL31410856	0.87	BACE1 (0.47)	BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL29679884	0.86	MAPK8 (0.43)	BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL31064776	0.86	PDCD1LG2 (0.48)	BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL31344440	0.86	NPY4R (0.51)	NPY4RNPY1RNPY2RNPY5R
SCHEMBL31393361	0.85	ENPEP (0.44)	NPY4RNPY1RNPY2RNPY5R
SCHEMBL29850992	0.85	PDCD1LG2 (0.49)	BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL29679761	0.85	BACE1 (0.47)	BACE1CTSDNPY4RNPY1RNPY2R

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-2022069704-A2	IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS	INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE)	2022-04-07	—	—	WO	claimed