SCHEMBL4075433

SCHEMBL4075433

O=C(OCC(F)(F)F)N1C=CC=CN=C1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34

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
SCHEMBL4071867 0.82
Hydrochloric Acid SCHEMBL4076062 0.80 HTT (0.41) HTT
SCHEMBL4255620 0.78 HTT (0.34) HTT
Hydrochloric Acid SCHEMBL4255615 0.77 HTT (0.33) HTT
SCHEMBL4427672 0.74
SCHEMBL4256336 0.73 P2RX4 (0.33)
SCHEMBL4075430 0.67 HTT (0.39) HTT
SCHEMBL3904518 0.66
Hydrochloric Acid SCHEMBL4076064 0.66 HTT (0.38) HTT
SCHEMBL30333016 0.65

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-2069317-A2 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-06-17 EP claimed
WO-2008034735-A2 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 WO claimed
EP-2069317-A2 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-06-17 EP disclosed
WO-2008034735-A2 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 WO disclosed