SCHEMBL6736459

SCHEMBL6736459

CC(=O)N1CCN(C(=O)C=Cc2ccc(Sc3ccc(C=CC(=O)N4CCN(C(C)=O)CC4)cc3[N+](=O)[O-])c([N+](=O)[O-])c2)CC1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.84
ITGB2 P05107 19/20 0.84
ICAM1 P05362 19/20 0.84

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
SCHEMBL28761950 1.00 ITGAL (0.84) ITGALITGB2ICAM1
SCHEMBL6736456 1.00 ITGAL (0.84) ITGALITGB2ICAM1
SCHEMBL5830525 0.92 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL6196654 0.92 ITGAL (0.82) ITGALITGB2ICAM1
SCHEMBL6198641 0.92 ITGAL (0.79) ITGALITGB2ICAM1
SCHEMBL5829931 0.91 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL5830383 0.91 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL5829928 0.91 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL6200010 0.91 ITGAL (0.81) ITGALITGB2ICAM1
SCHEMBL6197181 0.91 ITGAL (0.81) ITGALITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP claimed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO claimed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed