SCHEMBL31452910

CSCC[C@H](NC(=O)[C@@H](N)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 0.62

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	1/20	0.57

▸	RAMP3	O60896	3/20	0.56

▸	CALCR	P30988	3/20	0.56

▸	NMUR2	Q9GZQ4	4/20	0.55

▸	NMUR1	Q9HB89	4/20	0.55

▸	NTSR1	P30989	1/20	0.55

▸	EPHA2	P29317	2/20	0.55

▸	KDM1A	O60341	1/20	0.55

▸	NPY2R	P49146	7/20	0.54

▸	NPY4R	P50391	7/20	0.54

▸	NPY5R	Q15761	7/20	0.54

▸	NPY1R	P25929	5/20	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
SCHEMBL31452906	0.94	KDM1A (0.57)	APLNRRAMP3CALCRNMUR2NMUR1
SCHEMBL30495827	0.90	KDM1A (0.61)	RAMP3CALCRKDM1ANPY2RNPY4R
SCHEMBL30432811	0.89	NPY2R (0.60)	RAMP3CALCREPHA2KDM1ANPY2R
SCHEMBL30883207	0.88	RAMP3 (0.60)	RAMP3CALCRNMUR2NMUR1NTSR1
SCHEMBL31433369	0.87	APLNR (0.59)	APLNRNMUR2NMUR1NTSR1
SCHEMBL30712942	0.87	APLNR (0.59)	APLNRRAMP3CALCRKDM1ANPY2R
SCHEMBL30495807	0.86	NPY2R (0.62)	CALCRKDM1ANPY2RNPY4RNPY5R
SCHEMBL30576992	0.86	KDM1A (0.64)	RAMP3CALCREPHA2KDM1ANPY2R
SCHEMBL30862317	0.86	NPY2R (0.57)	APLNRRAMP3CALCRKDM1ANPY2R
SCHEMBL5163482	0.86	NMUR2 (0.60)	APLNRRAMP3CALCRNMUR2NMUR1

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	disclosed