SCHEMBL7699147

SCHEMBL7699147

C[C@]1(Cc2ccc(Br)cc2)NC(=O)N(c2cc(N)cc(Cl)c2)C1=O

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.84
ITGB2 P05107 19/20 0.52
ICAM1 P05362 19/20 0.52

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
SCHEMBL6314317 0.92 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL6314324 0.92 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL5206081 0.83 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL5206070 0.83 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL7704334 0.83 ITGAL (0.79) ITGALITGB2ICAM1
SCHEMBL7703570 0.83 ITGAL (0.79) ITGALITGB2ICAM1
SCHEMBL13817003 0.81 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL7704962 0.81 ITGAL (0.74) ITGALITGB2ICAM1
SCHEMBL13879533 0.79 ITGAL (0.76) ITGALITGB2ICAM1
SCHEMBL13879551 0.72 ITGAL (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6353013-B1 ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-05 US disclosed