SCHEMBL29679694

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.55

▸	NPY4R	P50391	8/20	0.55

▸	NPY5R	Q15761	8/20	0.55

▸	NPY1R	P25929	6/20	0.55

▸	TFPI	P10646	3/20	0.52

▸	OPRM1	P35372	2/20	0.51

▸	OPRD1	P41143	2/20	0.51

▸	OPRK1	P41145	2/20	0.51

▸	CALCR	P30988	5/20	0.51

▸	KDM1A	O60341	1/20	0.51

▸	RAMP3	O60896	1/20	0.51

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
SCHEMBL29679783	0.99	NPY2R (0.55)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30429125	0.95	NPY2R (0.59)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29679700	0.93	CXCR4 (0.53)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30804661	0.92	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29680185	0.87	CALCRL (0.55)	—
SCHEMBL30273396	0.86	NPY2R (0.58)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30498968	0.85	F2 (0.60)	OPRM1OPRD1
SCHEMBL30880907	0.85	NTSR1 (0.61)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30166937	0.85	OPRD1 (0.60)	OPRM1OPRD1OPRK1
SCHEMBL30064503	0.84	OPRK1 (0.58)	OPRM1OPRD1OPRK1

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