SCHEMBL29679500

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.64

▸	NPY2R	P49146	7/20	0.61

▸	NPY4R	P50391	7/20	0.61

▸	NPY5R	Q15761	7/20	0.61

▸	NPY1R	P25929	5/20	0.61

▸	EP300	Q09472	1/20	0.59

▸	HIF1A	Q16665	1/20	0.59

▸	F2	P00734	3/20	0.58

▸	KDM1A	O60341	1/20	0.58

▸	MAOB	P27338	1/20	0.58

▸	KDM5A	P29375	1/20	0.58

▸	KDM1B	Q8NB78	1/20	0.58

▸	NTSR2	O95665	1/20	0.57

▸	NTSR1	P30989	1/20	0.57

▸	SORT1	Q99523	1/20	0.57

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
SCHEMBL29811064	0.94	CALCR (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30567778	0.93	CALCR (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182911	0.91	CALCR (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30607403	0.91	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31130607	0.91	CALCR (0.60)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29679514	0.91	NPY1R (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31683307	0.91	NPY2R (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432136	0.90	F2 (0.64)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495801	0.90	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30576913	0.90	CALCR (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R

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