SCHEMBL5480433

SCHEMBL5480433

O=C(O)NC(F)C(F)(F)C(F)F

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.30

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
SCHEMBL6578422 0.76 TAS1R3 (0.32)
SCHEMBL5547502 0.74 ALDH1A1 (0.32)
SCHEMBL11328106 0.68 LMNA (0.32)
SCHEMBL968334 0.66
SCHEMBL14815129 0.66
SCHEMBL22311151 0.65 TAS1R3 (0.37)
SCHEMBL10900666 0.65 TAS1R3 (0.37)
SCHEMBL27239991 0.63
SCHEMBL10663366 0.63
SCHEMBL27239670 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007507447-A 2007-03-29 JP claimed
EP-1673347-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. Hoffman-la Roche AG (CH) 2006-06-28 EP claimed
WO-2005040126-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2005-05-06 WO claimed
EP-1828151-A2 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2007-09-05 EP disclosed
EP-1673347-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. Hoffman-la Roche AG (CH) 2006-06-28 EP disclosed
WO-2006061136-A2 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER’S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 WO disclosed
WO-2005040126-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2005-05-06 WO disclosed