SCHEMBL5485259

SCHEMBL5485259

O=C(O)NCC(F)C(F)F

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 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
SCHEMBL7938536 0.81 EPHX1 (0.33)
SCHEMBL6720564 0.78
SCHEMBL7935567 0.77 BCAT2 (0.39)
SCHEMBL14842407 0.77 CYP2D6 (0.48) CYP2D6CYP2C19
SCHEMBL6728519 0.76
SCHEMBL10900674 0.75 CYP2D6 (0.58) CYP2D6CYP2C19
SCHEMBL25260677 0.74
SCHEMBL6725151 0.74
SCHEMBL20838650 0.74 CYP2D6 (0.50) CYP2D6CYP2C19
SCHEMBL25213286 0.74

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
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