SCHEMBL30493569

C[C@@H](O)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	3/20	0.40

▸	NMUR1	Q9HB89	3/20	0.40

▸	NAA50	Q9GZZ1	1/20	0.40

▸	CALCRL	Q16602	4/20	0.39

▸	RAMP1	O60894	1/20	0.39

▸	GRB2	P62993	1/20	0.39

▸	PTPN1	P18031	1/20	0.39

▸	SLC6A2	P23975	1/20	0.36

▸	MAPK8	P45983	1/20	0.36

▸	MAPK9	P45984	1/20	0.36

▸	MAPK10	P53779	1/20	0.36

▸	STAT3	P40763	1/20	0.35

▸	CXCR4	P61073	1/20	0.35

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
SCHEMBL30493500	0.89	NMUR2 (0.41)	NMUR2NMUR1NAA50CALCRLRAMP1
SCHEMBL30493590	0.88	NMUR2 (0.39)	NMUR2NMUR1NAA50GRB2PTPN1
SCHEMBL29464997	0.88	GRB2 (0.42)	NAA50CALCRLRAMP1GRB2PTPN1
SCHEMBL29740183	0.80	APLNR (0.45)	NMUR2NMUR1CALCRLRAMP1
SCHEMBL31447553	0.79	F2 (0.43)	GRB2
SCHEMBL31447574	0.79	F2 (0.43)	GRB2
SCHEMBL31741306	0.79	GRB2 (0.49)	NMUR2NMUR1CALCRLGRB2SLC6A2
SCHEMBL30974401	0.78	NMUR2 (0.53)	NMUR2NMUR1
SCHEMBL31721670	0.78	NMUR2 (0.46)	NMUR2NMUR1GRB2CXCR4
SCHEMBL29580398	0.77	GRB2 (0.44)	NAA50CALCRLRAMP1GRB2PTPN1

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-116410262-A	Tumor affinity peptide and application thereof	中国药科大学	2023-07-11	—	—	CN	disclosed