SCHEMBL13804221

SCHEMBL13804221

CC(C)(C)OC(=O)C1CN(C(=O)OC(C)(C)C)CCN1C(=O)C1(NC(=O)c2cnc3n2[C@](C)(Cc2ccc(N)cc2)C(=O)N3c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.46
ITGAL P20701 19/20 0.45
ITGB2 P05107 18/20 0.45
ICAM1 P05362 18/20 0.45

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
SCHEMBL2390907 0.92 TMEM97 (0.56) TMEM97ITGALITGB2ICAM1
SCHEMBL13804220 0.88 TMEM97 (0.49) TMEM97ITGALITGB2ICAM1
SCHEMBL2390914 0.87 TMEM97 (0.56) TMEM97ITGALITGB2ICAM1
SCHEMBL13804435 0.84 ITGAL (0.55) TMEM97ITGALITGB2ICAM1
SCHEMBL12259743 0.80 TMEM97 (0.60) TMEM97ITGALITGB2ICAM1
SCHEMBL12310267 0.77 TMEM97 (0.49) TMEM97ITGALITGB2ICAM1
SCHEMBL2410542 0.76 TMEM97 (0.59) TMEM97ITGALITGB2ICAM1
SCHEMBL2392446 0.76 TMEM97 (0.62) TMEM97ITGALITGB2ICAM1
SCHEMBL2392450 0.76 TMEM97 (0.62) TMEM97ITGALITGB2ICAM1
SCHEMBL12310653 0.76 TMEM97 (0.46) TMEM97ITGALITGB2ICAM1

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