SCHEMBL31452906

CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.67

Predicted protein targets (top 16)

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

▸	APLNR	P35414	1/20	0.57

▸	RAMP3	O60896	3/20	0.56

▸	CALCR	P30988	3/20	0.56

▸	EPHA2	P29317	2/20	0.56

▸	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

▸	NMUR2	Q9GZQ4	2/20	0.54

▸	NMUR1	Q9HB89	2/20	0.54

▸	NTSR1	P30989	1/20	0.54

▸	TFPI	P10646	2/20	0.54

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
SCHEMBL31452910	0.94	APLNR (0.57)	KDM1AAPLNRRAMP3CALCREPHA2
SCHEMBL30495827	0.93	KDM1A (0.61)	KDM1ARAMP3CALCRMAOBKDM5A
SCHEMBL30432811	0.92	NPY2R (0.60)	KDM1ARAMP3CALCREPHA2MAOB
SCHEMBL30883207	0.92	RAMP3 (0.60)	KDM1ARAMP3CALCRMAOBKDM5A
SCHEMBL30712942	0.90	APLNR (0.59)	KDM1AAPLNRRAMP3CALCRMAOB
SCHEMBL30495807	0.90	NPY2R (0.62)	KDM1ACALCRMAOBKDM5AKDM1B
SCHEMBL30320529	0.89	KDM1A (0.57)	KDM1ARAMP3CALCREPHA2MAOB
SCHEMBL31575684	0.89	KDM1A (0.56)	KDM1ARAMP3CALCREPHA2MAOB
SCHEMBL29395807	0.88	KDM1A (0.64)	KDM1ARAMP3CALCREPHA2MAOB
SCHEMBL30607315	0.88	NPY2R (0.61)	KDM1ARAMP3CALCREPHA2MAOB

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-119751581-A	Cyclic peptide molecule of specific targeting EphA2 and application thereof in preparation of tumor diagnosis reagent or tumor treatment drug	上海交通大学	2025-04-04	—	—	CN	claimed