SCHEMBL12890379

CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CXCL8	P10145	8/20	0.52

▸	DPP3	Q9NY33	1/20	0.51

▸	OPRM1	P35372	2/20	0.51

▸	CCKBR	P32239	7/20	0.49

▸	CAPN1	P07384	2/20	0.49

▸	CTSB	P07858	2/20	0.49

▸	CCKAR	P32238	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	1.00	CXCL8 (0.52)	CXCL8DPP3OPRM1CCKBRCAPN1
SCHEMBL12890381	0.93	CAPN1 (0.56)	CXCL8DPP3OPRM1CAPN1CTSB
SCHEMBL31499421	0.80	DPP3 (0.60)	CXCL8DPP3OPRM1CAPN1CTSB
SCHEMBL31357907	0.80	CAPN1 (0.57)	CXCL8DPP3CAPN1CTSB
SCHEMBL30957019	0.80	DPP3 (0.61)	DPP3OPRM1
SCHEMBL29695397	0.79	KISS1R (0.56)	CXCL8DPP3OPRM1
SCHEMBL23700396	0.79	OPRM1 (0.61)	OPRM1CCKBRCCKAR
SCHEMBL23700399	0.79	OPRM1 (0.61)	OPRM1CCKBRCCKAR
SCHEMBL23700393	0.79	OPRM1 (0.61)	OPRM1CCKBRCCKAR
SCHEMBL30310882	0.78	CCKBR (0.61)	CXCL8DPP3CCKBR

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