SCHEMBL13817023

SCHEMBL13817023

C[C@@]1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(I)n21

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 19/20 0.76
ICAM1 P05362 19/20 0.76
ITGAL P20701 19/20 0.76
TMEM97 Q5BJF2 1/20 0.53

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
SCHEMBL12802465 0.91 ITGAL (0.64) ITGB2ICAM1ITGALTMEM97
SCHEMBL2390822 0.91 ITGAL (0.63) ITGB2ICAM1ITGALTMEM97
SCHEMBL27465156 0.88 ITGB2 (0.65) ITGB2ICAM1ITGALTMEM97
SCHEMBL27465168 0.87 ITGB2 (0.66) ITGB2ICAM1ITGALTMEM97
SCHEMBL2394405 0.87 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL2394410 0.87 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL13817022 0.86 ITGB2 (0.65) ITGB2ICAM1ITGALTMEM97
SCHEMBL27465304 0.86 ITGB2 (0.65) ITGB2ICAM1ITGALTMEM97
SCHEMBL13817021 0.85 ITGB2 (0.78) ITGB2ICAM1ITGAL
SCHEMBL4020179 0.85 ITGB2 (0.66) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550494-B2 Small molecules useful in the treatment of inflammatory disease BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-7550494-B2 Small molecules useful in the treatment of inflammatory disease BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-7462637-B2 Derivatives of [6,7-dihydro-5H-imidazo[1,2--a]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid amide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
EP-1216247-B1 IMIDAZOIMIDAZOLES AND TRIAZOLES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2008-11-05 EP disclosed