SCHEMBL31598492

CC(C)[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.59

▸	EPHA2	P29317	2/20	0.56

▸	TFPI	P10646	5/20	0.55

▸	MAOB	P27338	1/20	0.54

▸	KDM5A	P29375	1/20	0.54

▸	KDM1B	Q8NB78	1/20	0.54

▸	NPY2R	P49146	5/20	0.54

▸	NPY4R	P50391	5/20	0.54

▸	NPY5R	Q15761	5/20	0.54

▸	NPY1R	P25929	4/20	0.54

▸	OPRM1	P35372	3/20	0.53

▸	OPRK1	P41145	3/20	0.53

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
SCHEMBL30331574	0.94	KDM1A (0.63)	KDM1AEPHA2TFPIMAOBKDM5A
SCHEMBL9691456	0.88	EPHA2 (0.61)	KDM1AEPHA2TFPIOPRM1OPRK1
SCHEMBL17887920	0.87	F2 (0.60)	KDM1AOPRM1OPRK1
SCHEMBL29521532	0.86	KDM1A (0.66)	KDM1AEPHA2TFPIMAOBKDM5A
SCHEMBL29367698	0.86	NPY2R (0.60)	KDM1ATFPINPY2RNPY4RNPY5R
SCHEMBL29617368	0.86	MAPK8 (0.56)	KDM1AEPHA2TFPINPY2RNPY4R
SCHEMBL30678914	0.86	EPHA2 (0.57)	KDM1AEPHA2NPY2RNPY4RNPY5R
SCHEMBL30844350	0.86	KDM1A (0.62)	KDM1AEPHA2TFPIMAOBKDM5A
SCHEMBL9691462	0.86	EPHA2 (0.59)	KDM1AEPHA2OPRM1OPRK1
SCHEMBL30804652	0.85	KDM1A (0.60)	KDM1AEPHA2TFPIMAOBKDM5A

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-120058857-A	Crab flavor peptide and preparation method and application thereof	天津科技大学	2025-05-30	—	—	CN	disclosed