SCHEMBL30176467

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.65

▸	F2	P00734	4/20	0.63

▸	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

▸	MAPK8	P45983	1/20	0.60

▸	MAPK9	P45984	1/20	0.60

▸	MAPK10	P53779	1/20	0.60

▸	GLP1R	P43220	1/20	0.59

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
SCHEMBL30495758	0.93	CALCR (0.72)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL29525286	0.92	NPY2R (0.68)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL31402803	0.92	GLP1R (0.69)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL31182848	0.91	F2 (0.64)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL31547374	0.91	GLP1R (0.70)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30607274	0.91	MAPK8 (0.59)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29494575	0.91	CALCR (0.76)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30686820	0.91	CALCR (0.76)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30686827	0.91	CALCR (0.76)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL31296089	0.90	APLNR (0.61)	CALCRF2NPY2RNPY4RNPY5R

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