SCHEMBL30176461

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	2/20	0.63

▸	NTSR2	O95665	4/20	0.61

▸	NTSR1	P30989	4/20	0.61

▸	SORT1	Q99523	3/20	0.61

▸	KDM1A	O60341	3/20	0.61

▸	MAOB	P27338	1/20	0.60

▸	KDM5A	P29375	1/20	0.60

▸	KDM1B	Q8NB78	1/20	0.60

▸	NPY2R	P49146	7/20	0.60

▸	NPY4R	P50391	7/20	0.60

▸	NPY5R	Q15761	7/20	0.60

▸	NPY1R	P25929	5/20	0.60

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
SCHEMBL30432635	0.92	NPY2R (0.64)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30512543	0.91	NTSR2 (0.65)	NTSR2NTSR1SORT1KDM1ANPY2R
SCHEMBL30607456	0.91	NPY2R (0.70)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL1421598	0.91	NTSR1 (0.72)	NTSR2NTSR1SORT1
SCHEMBL1421605	0.91	NTSR1 (0.72)	NTSR2NTSR1SORT1
SCHEMBL1421513	0.91	NTSR1 (0.72)	NTSR2NTSR1SORT1
SCHEMBL1421525	0.91	NTSR1 (0.72)	NTSR2NTSR1SORT1
SCHEMBL31634123	0.91	NTSR2 (0.60)	EPHA2NTSR2NTSR1SORT1NPY4R
SCHEMBL31031455	0.90	KDM1A (0.65)	EPHA2NTSR2NTSR1SORT1KDM1A
SCHEMBL29514899	0.89	KDM1A (0.66)	KDM1AMAOBKDM5AKDM1BNPY2R

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