SCHEMBL30176504

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

nearest known ligand 0.59

Predicted protein targets (top 9)

	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

▸	CALCR	P30988	7/20	0.51

▸	CXCR4	P61073	1/20	0.50

▸	RAMP3	O60896	3/20	0.50

▸	CRHR1	P34998	1/20	0.49

▸	CRHR2	Q13324	1/20	0.49

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
SCHEMBL30567787	0.90	CALCR (0.61)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432870	0.90	NPY2R (0.59)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30199802	0.89	NPY2R (0.53)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182888	0.88	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182810	0.88	NPY2R (0.57)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL8973220	0.87	CALCR (0.57)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31683308	0.87	CALCR (0.58)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30567708	0.87	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30648443	0.87	NPY2R (0.54)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30431868	0.87	NPY2R (0.57)	NPY2RNPY4RNPY5RNPY1RCALCR

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 2 patents. 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
US-11555187-B2	RNA-directed DNA cleavage by the Cas9-crRNA complex	VILNIUS UNIVERSITY (LT)	2023-01-17	—	—	US	disclosed