SCHEMBL30540727

N=C(N)NCCC[C@H](NC(=O)[C@H](CCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY4R	P50391	15/20	0.47

▸	NPY1R	P25929	10/20	0.47

▸	NPY5R	Q15761	9/20	0.47

▸	NPY2R	P49146	6/20	0.47

▸	KDM1A	O60341	2/20	0.45

▸	MAPK8	P45983	1/20	0.45

▸	MAPK9	P45984	1/20	0.45

▸	MAPK10	P53779	1/20	0.45

▸	NTSR2	O95665	1/20	0.44

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
SCHEMBL29895402	0.94	NPY4R (0.47)	NPY4RNPY1RNPY5RNPY2RKDM1A
SCHEMBL29859761	0.93	MAPK8 (0.47)	NPY4RNPY1RNPY5RNPY2RKDM1A
SCHEMBL29932164	0.91	NPY4R (0.51)	NPY4RNPY1RNPY5RNPY2RKDM1A
SCHEMBL29876897	0.91	NPY4R (0.51)	NPY4RNPY1RNPY5RNPY2RKDM1A
SCHEMBL29531402	0.90	KDM1A (0.50)	NPY4RNPY1RNPY5RNPY2RKDM1A
SCHEMBL29823496	0.89	NPY4R (0.51)	NPY4RNPY1RNPY5RNPY2RKDM1A
SCHEMBL7643925	0.88	KDM1A (0.49)	NPY4RNPY1RNPY5RNPY2RKDM1A
SCHEMBL7643912	0.88	KDM1A (0.49)	NPY4RNPY1RNPY5RNPY2RKDM1A
SCHEMBL30942554	0.87	NPY4R (0.61)	NPY4RNPY1RNPY5RNPY2RNTSR2
SCHEMBL29674905	0.87	MAPK8 (0.50)	NPY4RNPY1RNPY5RNPY2RKDM1A

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-116761618-A	Pharmaceutical combination comprising a peptide CXCR4 inhibitor and a taxane for the treatment of cancer	斯佩希斯股份公司	2023-09-15	—	—	CN	disclosed