SCHEMBL30844362

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

nearest known ligand 0.63

Predicted protein targets (top 10)

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

▸	KDM1A	O60341	3/20	0.61

▸	MAOB	P27338	1/20	0.61

▸	KDM5A	P29375	1/20	0.61

▸	KDM1B	Q8NB78	1/20	0.61

▸	NPY2R	P49146	7/20	0.61

▸	NPY4R	P50391	7/20	0.61

▸	NPY5R	Q15761	7/20	0.61

▸	NPY1R	P25929	5/20	0.61

▸	TFPI	P10646	6/20	0.58

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
SCHEMBL30844294	1.00	EPHA2 (0.63)	EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL30844258	1.00	EPHA2 (0.63)	EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL30844318	1.00	EPHA2 (0.63)	EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL30844350	0.96	KDM1A (0.62)	EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL30844338	0.94	NPY2R (0.60)	EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL30401038	0.93	NPY2R (0.66)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30844261	0.92	NPY2R (0.50)	EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL31257146	0.92	NPY2R (0.50)	EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL30844284	0.92	NPY2R (0.50)	EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL30844276	0.92	NPY2R (0.50)	EPHA2KDM1AMAOBKDM5AKDM1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-117858890-A	Polypeptide compound and application thereof in treating enteritis	四川好医生攀西药业有限责任公司	2024-04-09	—	—	CN	disclosed