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Sugi Predict / Compounds / SCHEMBL13804199

SCHEMBL13804199

SCHEMBL13804199

C[C@@]1(Cc2ccc(N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(C(=O)NC3(C(=O)NC4(c5cc(CNC(=O)C6CC6)ccn5)CC4)CC3)n21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 1/20 0.49
▸ ITGAL P20701 19/20 0.46
▸ ITGB2 P05107 18/20 0.46
▸ ICAM1 P05362 18/20 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
SCHEMBL13804276 0.92 ITGAL (0.50) TMEM97ITGALITGB2ICAM1
SCHEMBL2393037 0.92 TMEM97 (0.60) TMEM97ITGALITGB2ICAM1
SCHEMBL12310482 0.90 ITGAL (0.50) TMEM97ITGALITGB2ICAM1
SCHEMBL12310653 0.89 TMEM97 (0.46) TMEM97ITGALITGB2ICAM1
SCHEMBL13804305 0.88 ITGAL (0.50) TMEM97ITGALITGB2ICAM1
SCHEMBL13804204 0.87 TMEM97 (0.49) TMEM97ITGALITGB2ICAM1
SCHEMBL13804306 0.85 TMEM97 (0.48) TMEM97ITGALITGB2ICAM1
SCHEMBL2390217 0.84 TMEM97 (0.59) TMEM97ITGALITGB2ICAM1
SCHEMBL10311749 0.83 ITGAL (0.51) TMEM97ITGALITGB2ICAM1
SCHEMBL2388816 0.83 TMEM97 (0.60) 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