SCHEMBL29679715

CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(N)=O)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 0.41

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	3/20	0.41

▸	CTSD	P07339	1/20	0.41

▸	IL23R	Q5VWK5	7/20	0.40

▸	NPY4R	P50391	3/20	0.39

▸	NPY1R	P25929	2/20	0.39

▸	NPY2R	P49146	2/20	0.39

▸	NPY5R	Q15761	2/20	0.39

▸	MAPK8	P45983	1/20	0.38

▸	MAPK9	P45984	1/20	0.38

▸	MAPK10	P53779	1/20	0.38

▸	KISS1R	Q969F8	3/20	0.38

▸	VIPR2	P41587	1/20	0.38

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
SCHEMBL29679705	0.95	BACE1 (0.43)	BACE1CTSDIL23RNPY4RNPY1R
SCHEMBL30912343	0.89	IL23R (0.41)	BACE1CTSDIL23RNPY4RNPY1R
SCHEMBL30070401	0.88	PDCD1LG2 (0.42)	BACE1CTSDIL23RNPY4RNPY1R
SCHEMBL30615287	0.88	VIPR2 (0.42)	BACE1CTSDIL23RNPY4RNPY1R
SCHEMBL29679884	0.88	MAPK8 (0.43)	BACE1CTSDIL23RNPY4RNPY1R
SCHEMBL9819630	0.88	NPY4R (0.41)	BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL9819635	0.88	NPY4R (0.41)	BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL30070376	0.88	PDCD1LG2 (0.41)	BACE1CTSDIL23RNPY4RNPY1R
SCHEMBL30070258	0.87	PDCD1LG2 (0.40)	BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL22687904	0.87	NPY4R (0.41)	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	disclosed