SCHEMBL4057289

SCHEMBL4057289

NC(=O)C(CCC(F)(F)F)C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
HTT P42858 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL5405574 0.90 CA1 (0.31) NOS2NOS3NOS1PSEN1PSEN2
SCHEMBL6065531 0.83
SCHEMBL5399204 0.81 ODC1 (0.31)
SCHEMBL22660114 0.79 NOTCH1 (0.34) NOS2NOS3NOS1HTTPSEN1
SCHEMBL27430163 0.78 ENPEP (0.37) NOS2NOS3NOS1HTT
SCHEMBL24108958 0.77 NOS2 (0.42) NOS2NOS3NOS1HTT
SCHEMBL1642298 0.77 NOS2 (0.42) NOS2NOS3NOS1HTT
SCHEMBL27610140 0.77 CA1 (0.37)
SCHEMBL1876375 0.77 NOS2 (0.42) NOS2NOS3NOS1HTT
SCHEMBL3917158 0.76 HTT (0.32) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109604-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-10-21 EP claimed
WO-2008092786-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 WO claimed
EP-2109604-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-10-21 EP disclosed
WO-2008092786-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 WO disclosed