SCHEMBL13804271

SCHEMBL13804271

C[C@H](NC(=O)c1cnc2n1[C@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@@H](N)C1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.59
ICAM1 P05362 20/20 0.59
ITGAL P20701 20/20 0.59

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
SCHEMBL2394671 0.90 ITGAL (0.59) ITGB2ICAM1ITGAL
SCHEMBL2391011 0.90 ITGAL (0.59) ITGB2ICAM1ITGAL
SCHEMBL2393575 0.87 ITGB2 (0.54) ITGB2ICAM1ITGAL
SCHEMBL2392667 0.84 TMEM97 (0.56) ITGB2ICAM1ITGAL
SCHEMBL2391400 0.83 ITGB2 (0.73) ITGB2ICAM1ITGAL
SCHEMBL2391408 0.83 ITGB2 (0.73) ITGB2ICAM1ITGAL
SCHEMBL2414625 0.80 TMEM97 (0.54) ITGB2ICAM1ITGAL
SCHEMBL2414619 0.80 TMEM97 (0.54) ITGB2ICAM1ITGAL
SCHEMBL2392017 0.79 TMEM97 (0.57) ITGB2ICAM1ITGAL
SCHEMBL2393237 0.79 TMEM97 (0.45) 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 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