SCHEMBL13804283

SCHEMBL13804283

C[C@@H](NC(=O)c1cnc2n1[C@](C)(Cc1ccc(N)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccnn1C

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 19/20 0.52
ITGB2 P05107 18/20 0.52
ICAM1 P05362 18/20 0.52
TMEM97 Q5BJF2 1/20 0.46

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
SCHEMBL13804270 1.00 ITGAL (0.52) ITGALITGB2ICAM1TMEM97
SCHEMBL2410532 0.91 ITGAL (0.60) ITGALITGB2ICAM1TMEM97
SCHEMBL2395835 0.91 ITGAL (0.60) ITGALITGB2ICAM1TMEM97
SCHEMBL12310222 0.86 ITGAL (0.60) ITGALITGB2ICAM1TMEM97
SCHEMBL13804438 0.84 ITGAL (0.55) ITGALITGB2ICAM1TMEM97
SCHEMBL13804299 0.82 ITGAL (0.63) ITGALITGB2ICAM1TMEM97
SCHEMBL12310340 0.79 ITGAL (0.49) ITGALITGB2ICAM1TMEM97
SCHEMBL13804287 0.78 ITGAL (0.57) ITGALITGB2ICAM1TMEM97
SCHEMBL2391408 0.78 ITGB2 (0.73) ITGALITGB2ICAM1
SCHEMBL2391400 0.78 ITGB2 (0.73) 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
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed