SCHEMBL30176440

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.64

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.64

▸	NPY2R	P49146	1/20	0.64

▸	NPY4R	P50391	1/20	0.64

▸	NPY5R	Q15761	1/20	0.64

▸	CXCR4	P61073	3/20	0.62

▸	GCGR	P47871	2/20	0.59

▸	GIPR	P48546	2/20	0.59

▸	GLP1R	P43220	6/20	0.59

▸	KEAP1	Q14145	1/20	0.58

▸	PTH1R	Q03431	4/20	0.57

▸	C5AR1	P21730	1/20	0.57

▸	EED	O75530	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
SCHEMBL31182720	0.92	NPY2R (0.69)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182525	0.92	NPY2R (0.67)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182745	0.91	NPY1R (0.71)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182815	0.90	NPY2R (0.73)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30495767	0.90	NPY1R (0.69)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182544	0.90	NPY1R (0.69)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30658345	0.90	NPY2R (0.71)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182954	0.90	KEAP1 (0.67)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182571	0.89	NPY2R (0.71)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31105498	0.89	NPY1R (0.72)	NPY1RNPY2RNPY4RNPY5RGCGR

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