SCHEMBL30176483

CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O

nearest known ligand 0.71

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.66

▸	NPY2R	P49146	8/20	0.62

▸	NPY4R	P50391	8/20	0.62

▸	NPY5R	Q15761	8/20	0.62

▸	NPY1R	P25929	6/20	0.62

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

▸	F2	P00734	2/20	0.56

▸	NTSR1	P30989	1/20	0.56

▸	EP300	Q09472	1/20	0.55

▸	HIF1A	Q16665	1/20	0.55

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
SCHEMBL30495694	0.91	CALCR (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182922	0.90	CALCR (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658393	0.90	NPY2R (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182956	0.90	NPY2R (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30320527	0.90	NPY2R (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29360287	0.90	NPY2R (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL11660133	0.90	CALCR (0.73)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL11660011	0.89	CALCR (0.72)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL11667495	0.89	CALCR (0.70)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658245	0.89	CALCR (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R

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