SCHEMBL30640887

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

nearest known ligand 0.67

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.64

▸	NPY4R	P50391	8/20	0.64

▸	NPY5R	Q15761	8/20	0.64

▸	NPY1R	P25929	6/20	0.64

▸	TFPI	P10646	5/20	0.64

▸	EPHA2	P29317	2/20	0.60

▸	NMUR2	Q9GZQ4	2/20	0.59

▸	NMUR1	Q9HB89	2/20	0.59

▸	KDM1A	O60341	1/20	0.59

▸	CXCR4	P61073	1/20	0.58

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
SCHEMBL30176414	0.96	TFPI (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30176437	0.96	TFPI (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29988048	0.91	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29629341	0.91	TFPI (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29424820	0.91	TFPI (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29533701	0.91	TFPI (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30017187	0.91	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182992	0.89	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182472	0.89	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29973299	0.89	TFPI (0.66)	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-20230272394-A1	RNA-DIRECTED DNA CLEAVAGE BY THE Cas9-crRNA COMPLEX	VILNIUS UNIVERSITY (LT)	2023-08-31	—	—	US	disclosed