SCHEMBL13683198

SCHEMBL13683198

C[C@@]1(Cc2ccc(-c3cncnc3)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(C)(=O)=O)n21

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.76
ICAM1 P05362 20/20 0.76
ITGAL P20701 20/20 0.76

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
SCHEMBL13682863 0.93 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL13816991 0.91 ITGB2 (0.79) ITGB2ICAM1ITGAL
SCHEMBL13816995 0.90 ITGB2 (0.73) ITGB2ICAM1ITGAL
SCHEMBL13879127 0.89 ITGB2 (0.60) ITGB2ICAM1ITGAL
SCHEMBL13817042 0.87 ITGB2 (0.74) ITGB2ICAM1ITGAL
SCHEMBL13817293 0.87 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL13816990 0.87 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL13817105 0.86 ITGB2 (0.79) ITGB2ICAM1ITGAL
SCHEMBL4238585 0.86 ITGB2 (0.75) ITGB2ICAM1ITGAL
SCHEMBL4238582 0.86 ITGB2 (0.75) ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589114-B2 Derivatives of [6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonyl]-azetidine-carboxylic acids, esters and amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-15 US disclosed
US-7550494-B2 Small molecules useful in the treatment of inflammatory disease BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
EP-1216247-B1 IMIDAZOIMIDAZOLES AND TRIAZOLES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2008-11-05 EP disclosed