SCHEMBL30844414

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](C)NC(=O)[C@@H]1CCCN1)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 0.57

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.57

▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	MAOB	P27338	1/20	0.53

▸	KDM5A	P29375	1/20	0.53

▸	KDM1B	Q8NB78	1/20	0.53

▸	REN	P00797	3/20	0.49

▸	NPY2R	P49146	7/20	0.48

▸	NPY4R	P50391	7/20	0.48

▸	NPY5R	Q15761	7/20	0.48

▸	NPY1R	P25929	5/20	0.48

▸	TFPI	P10646	1/20	0.47

▸	OPRM1	P35372	3/20	0.46

▸	OPRK1	P41145	3/20	0.46

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
SCHEMBL30844290	0.98	KDM1A (0.56)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30844394	0.98	KDM1A (0.58)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30844399	0.97	KDM1A (0.56)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30844384	0.96	KDM1A (0.57)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30844413	0.96	KDM1A (0.57)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30844344	0.96	KDM1A (0.55)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30844381	0.95	KDM1A (0.55)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30844393	0.95	KDM1A (0.55)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30844374	0.95	KDM1A (0.55)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30844390	0.94	MAPK8 (0.54)	KDM1AMAPK8MAPK9MAPK10MAOB

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