Sugi Predict

Sugi Predict / Compounds / Isobutane

Isobutane

Isobutane

SCHEMBL5565247

CC(C)C.Cc1ccc(-c2cccc(C(=O)CC(=O)Nc3cc(C(F)(F)F)c(OCC(F)(F)F)cc3NC(=O)OC(C)(C)C)c2)cn1

nearest known ligand 0.53

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 17/20 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
SCHEMBL5564082 0.98 AAK1 (0.43) AAK1
SCHEMBL5557146 0.92 AAK1 (0.44) AAK1
SCHEMBL5562819 0.91 AAK1 (0.39) AAK1
SCHEMBL5564393 0.90 SCN5A (0.44) AAK1
SCHEMBL5556985 0.89 AAK1 (0.40) AAK1
SCHEMBL5556788 0.89 AAK1 (0.43) AAK1
SCHEMBL5556738 0.89 AAK1 (0.39) AAK1
SCHEMBL5563022 0.88 AAK1 (0.45) AAK1
SCHEMBL5557258 0.88 CDK8 (0.39) AAK1
SCHEMBL5563003 0.88 AAK1 (0.39) AAK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474416-B1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 — — EP disclosed
EP-1474416-A1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 — — EP disclosed
WO-2003066623-A1 DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — WO disclosed