SCHEMBL12890381

CN[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(C)=O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	2/20	0.56

▸	CTSB	P07858	2/20	0.56

▸	KISS1R	Q969F8	4/20	0.55

▸	IL23R	Q5VWK5	2/20	0.52

▸	DPP3	Q9NY33	3/20	0.52

▸	CXCL8	P10145	7/20	0.51

▸	OPRM1	P35372	1/20	0.49

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
SCHEMBL12890534	0.93	CXCL8 (0.52)	CAPN1CTSBDPP3CXCL8OPRM1
SCHEMBL12890379	0.93	CXCL8 (0.52)	CAPN1CTSBDPP3CXCL8OPRM1
SCHEMBL29695397	0.86	KISS1R (0.56)	KISS1RIL23RDPP3CXCL8OPRM1
SCHEMBL29855998	0.82	DPP3 (0.60)	CAPN1CTSBKISS1RDPP3CXCL8
SCHEMBL29683171	0.82	KISS1R (0.62)	CAPN1CTSBKISS1ROPRM1
SCHEMBL27400993	0.81	CXCR4 (0.61)	KISS1RIL23RCXCL8
SCHEMBL31332301	0.81	CXCL8 (0.59)	CAPN1CTSBKISS1RDPP3CXCL8
SCHEMBL30512708	0.80	CXCR4 (0.60)	KISS1RIL23RCXCL8
SCHEMBL29815289	0.80	KISS1R (0.59)	CAPN1CTSBKISS1RDPP3CXCL8
SCHEMBL31499421	0.79	DPP3 (0.60)	CAPN1CTSBDPP3CXCL8OPRM1

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
US-7893223-B2	Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy	BRACCO IMAGING S.P.A. (IT)	2011-02-22	—	—	US	disclosed