SCHEMBL9120002

SCHEMBL9120002

[CH2]CCCCN1C(=O)CC(C)(C)CC1=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.55
DRD2 P14416 3/20 0.55
HTR7 P34969 2/20 0.55
HTR2C P28335 1/20 0.55
HRH1 P35367 1/20 0.55
HTR2B P41595 1/20 0.55
HTR2A P28223 2/20 0.49
DRD3 P35462 1/20 0.48

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
SCHEMBL9120391 0.98 HTR1A (0.54) HTR1ADRD2HTR7HTR2CHRH1
SCHEMBL9119061 0.94 HTR1A (0.53) HTR1ADRD2HTR7HTR2CHRH1
SCHEMBL8556355 0.81 HTR1A (0.55) HTR1ADRD2HTR7HTR2CHRH1
SCHEMBL8887121 0.81 HTR1A (0.55) HTR1ADRD2HTR7HTR2CHRH1
SCHEMBL9441347 0.79 HTR1A (0.54) HTR1ADRD2HTR7HTR2CHRH1
SCHEMBL9441283 0.79 HTR1A (0.54) HTR1ADRD2HTR7HTR2CHRH1
SCHEMBL9749757 0.77 FAAH (0.46) HTR1ADRD2HTR7DRD3
SCHEMBL10581343 0.76 HTR1A (0.50) HTR1ADRD2HTR7HTR2CHRH1
SCHEMBL11267626 0.74 HTR1A (0.57) HTR1ADRD2HTR7HTR2CHRH1
SCHEMBL20358602 0.72 HTR1A (1.00) HTR1ADRD2HTR7HTR2CHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548664-B1 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives HOFFMANN LA ROCHE (CH) 1995-05-31 EP claimed
US-5318967-A Cognition activators for alzheimer's disease, learning enhancement HOFFMANN-LA ROCHE INC. (US) 1994-06-07 US claimed
US-5318966-A Administering the enzyme inhibitor for treating alzheimer's disease, learning enhancement, brain disorders HOFFMANN-LA ROCHE INC. (US) 1994-06-07 US claimed
EP-0548664-A1 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-06-30 EP claimed
EP-0548664-B1 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives HOFFMANN LA ROCHE (CH) 1995-05-31 EP disclosed
US-5318966-A Administering the enzyme inhibitor for treating alzheimer's disease, learning enhancement, brain disorders HOFFMANN-LA ROCHE INC. (US) 1994-06-07 US disclosed
US-5318967-A Cognition activators for alzheimer's disease, learning enhancement HOFFMANN-LA ROCHE INC. (US) 1994-06-07 US disclosed
EP-0548664-A1 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-06-30 EP disclosed