SCHEMBL4947129

SCHEMBL4947129

Nc1cc2c(c(C(F)(F)F)c1)OCCNC2.O=Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1F

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.32

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
SCHEMBL3353678 0.78 AR (0.33)
SCHEMBL3353163 0.74 ERN1 (0.44) PDE7A
SCHEMBL4947084 0.69 ERN1 (0.40) PDE7A
SCHEMBL4952064 0.61 FFAR4 (0.39)
Hydrochloric Acid SCHEMBL8102356 0.60 MAPT (0.50)
SCHEMBL25317841 0.59 PTGES (0.43)
SCHEMBL30185402 0.59 ALDH1A1 (0.45) PDE7A
SCHEMBL28995330 0.59 ALDH1A1 (0.45) PDE7A
SCHEMBL12725905 0.59 ERN1 (0.49)
SCHEMBL31513053 0.58 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910321-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER'S DISEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007004959-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER'S DISEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE ASTRAZENECA AB (SE) 2007-01-11 WO disclosed