SCHEMBL6315916

SCHEMBL6315916

CC(=O)N1CCN(C(=O)C=Cc2ccc(Sc3cc4[nH]c(=O)[nH]c4cc3Cl)c(Cl)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 1.00
ITGB2 P05107 19/20 1.00
ICAM1 P05362 19/20 1.00

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
SCHEMBL7613230 0.88 ITGAL (0.91) ITGALITGB2ICAM1
SCHEMBL27473569 0.88 ITGAL (0.91) ITGALITGB2ICAM1
SCHEMBL6310184 0.84 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL27577550 0.84 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL5830866 0.84 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL27473980 0.79 ITGAL (0.91) ITGALITGB2ICAM1
SCHEMBL5830192 0.79 ITGAL (0.78) ITGALITGB2ICAM1
SCHEMBL6315907 0.79 ITGAL (0.65) ITGALITGB2ICAM1
SCHEMBL6311108 0.79 ITGAL (0.74) ITGALITGB2ICAM1
SCHEMBL6200166 0.78 ITGAL (0.72) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US claimed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed