SCHEMBL30429119

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.71

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.67

▸	NPY4R	P50391	8/20	0.67

▸	NPY5R	Q15761	8/20	0.67

▸	NPY1R	P25929	6/20	0.67

▸	TFPI	P10646	4/20	0.66

▸	NMUR2	Q9GZQ4	3/20	0.62

▸	NMUR1	Q9HB89	3/20	0.62

▸	KDM1A	O60341	2/20	0.62

▸	RAMP3	O60896	1/20	0.61

▸	CALCR	P30988	1/20	0.61

▸	KEAP1	Q14145	1/20	0.60

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
SCHEMBL29680005	0.93	NMUR2 (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29349981	0.93	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182472	0.93	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495778	0.93	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182662	0.92	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30431273	0.92	NMUR2 (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30176425	0.92	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29827447	0.91	KEAP1 (0.62)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30726566	0.91	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182473	0.91	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RTFPI

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
US-20230165951-A1	Engineering, production and characterization of plant produced Nucleocapsid and Spike structural proteins of SARS CoV 2 as vaccine candidates against COVID19	MAMEDOV TARLAN (TR)	2023-06-01	—	—	US	disclosed