SCHEMBL5567573

SCHEMBL5567573

CCC(=O)NC(CNC(=O)COC1CC(CNc2ccccn2)N(C(=O)O)C1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.69
ITGA5 P08648 20/20 0.69
ITGB3 P05106 11/20 0.68
ITGAV P06756 11/20 0.68
ITGB5 P18084 7/20 0.68
ITGA2B P08514 3/20 0.62

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL5568652 0.91 ITGB1 (0.67) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5566379 0.90 ITGB1 (0.85) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL14453442 0.90 ITGB1 (0.85) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5568537 0.90 ITGB1 (0.85) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5568506 0.88 ITGB1 (0.74) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5568068 0.88 ITGB1 (0.70) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5567905 0.88 ITGB1 (0.70) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5565255 0.87 ITGB1 (0.68) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5567431 0.87 ITGB1 (0.68) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5568351 0.87 ITGB1 (0.70) ITGB1ITGA5ITGB3ITGAVITGB5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005090329-A9 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF JERINI AG (DE) 2007-02-01 WO claimed
WO-2005090329-A9 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF JERINI AG (DE) 2007-02-01 WO disclosed
EP-1727811-A1 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF Jerini AG (DE) 2006-12-06 EP disclosed
WO-2005090329-A1 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF JERINI AG (DE) 2005-09-29 WO disclosed