SCHEMBL13804305

SCHEMBL13804305

C[C@@]1(Cc2ccc(N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(C(=O)NC3(C(=O)NC4(c5cc(I)ccn5)CC4)CC3)n21

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 19/20 0.50
ITGB2 P05107 18/20 0.50
ICAM1 P05362 18/20 0.50
TMEM97 Q5BJF2 1/20 0.50

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
SCHEMBL12310482 0.92 ITGAL (0.50) ITGALITGB2ICAM1TMEM97
SCHEMBL2395026 0.91 TMEM97 (0.61) ITGALITGB2ICAM1TMEM97
SCHEMBL10311749 0.91 ITGAL (0.51) ITGALITGB2ICAM1TMEM97
SCHEMBL13804306 0.90 TMEM97 (0.48) ITGALITGB2ICAM1TMEM97
SCHEMBL13804276 0.90 ITGAL (0.50) ITGALITGB2ICAM1TMEM97
SCHEMBL13804204 0.89 TMEM97 (0.49) ITGALITGB2ICAM1TMEM97
SCHEMBL13804199 0.88 TMEM97 (0.49) ITGALITGB2ICAM1TMEM97
SCHEMBL12310653 0.87 TMEM97 (0.46) ITGALITGB2ICAM1TMEM97
SCHEMBL13804193 0.86 ITGAL (0.57) ITGALITGB2ICAM1TMEM97
SCHEMBL2396246 0.85 TMEM97 (0.63) ITGALITGB2ICAM1TMEM97

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