SCHEMBL29679909

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.56

▸	NPY4R	P50391	8/20	0.56

▸	NPY5R	Q15761	8/20	0.56

▸	NPY1R	P25929	6/20	0.56

▸	CALCRL	Q16602	1/20	0.54

▸	F2	P00734	1/20	0.53

▸	AGTR2	P50052	3/20	0.53

▸	AGTR1	P30556	2/20	0.53

▸	NTSR2	O95665	1/20	0.52

▸	NTSR1	P30989	1/20	0.52

▸	SORT1	Q99523	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
SCHEMBL29680141	0.98	NPY2R (0.57)	NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL30571128	0.94	CALCRL (0.57)	NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL30571139	0.92	NPY2R (0.58)	NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL29679939	0.90	SLC6A2 (0.57)	CALCRLAGTR2AGTR1NTSR2NTSR1
SCHEMBL30428637	0.89	CALCR (0.66)	NPY2RNPY4RNPY5RNPY1RF2
SCHEMBL29679507	0.89	SLC6A2 (0.61)	CALCRLAGTR2AGTR1
SCHEMBL29903290	0.86	CALCRL (0.57)	CALCRLAGTR2AGTR1
SCHEMBL30571146	0.86	CRHR1 (0.60)	CALCRLF2AGTR2AGTR1NTSR2
SCHEMBL29679999	0.85	CALCRL (0.55)	CALCRLF2AGTR2AGTR1
SCHEMBL31453289	0.85	SLC6A2 (0.63)	NTSR2NTSR1SORT1

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