SCHEMBL8310233

SCHEMBL8310233

O=C(CC1CCN(CCCc2c[nH]c3ccc(F)cc23)C1)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.60
ACHE P22303 4/20 0.58
DRD2 P14416 2/20 0.58
MPO P05164 3/20 0.58
SLC6A4 P31645 4/20 0.56
HTR2A P28223 1/20 0.53
HTR7 P34969 2/20 0.53
KCNH2 Q12809 1/20 0.52

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
SCHEMBL8306860 0.90 HTR1A (0.62) HTR1AACHEDRD2SLC6A4
SCHEMBL8306212 0.85 HTR2A (0.55) HTR1AACHEDRD2SLC6A4HTR2A
Hydrochloric Acid SCHEMBL9073679 0.84 HTR2A (0.54) HTR1AACHEDRD2SLC6A4HTR2A
SCHEMBL14359185 0.83 HTR1A (0.69) HTR1AMPOSLC6A4HTR2AHTR7
SCHEMBL14358873 0.79 HTR1A (0.72) HTR1AMPOSLC6A4HTR7KCNH2
SCHEMBL7379763 0.77 MEN1 (0.70) HTR1ADRD2HTR2AKCNH2
SCHEMBL14358506 0.77 HTR1A (0.59) HTR1ADRD2MPOSLC6A4HTR2A
SCHEMBL14359104 0.76 HTR1A (0.71) HTR1AMPOSLC6A4HTR2A
SCHEMBL30504837 0.76 HTR1A (0.84) HTR1AACHEMPOSLC6A4
SCHEMBL6953004 0.75 MPO (0.63) HTR1AMPOSLC6A4

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-0747379-B1 Derivatives of indole, indazole and benzisoxazole for the treatment of schizophrenia ADIR (FR) 1999-08-11 EP disclosed
EP-0747379-A1 Derivatives of indole, indazole and benzisoxazole for the treatment of schizophrenia ADIR ET COMPAGNIE (FR) 1996-12-11 EP disclosed