SCHEMBL8831311

SCHEMBL8831311

c1ccc2c(N3CCN(CCCCn4c5ccccc5c5ccccc54)CC3)nsc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.70
HTR1A P08908 5/20 0.70
DRD2 P14416 4/20 0.70
HTR7 P34969 4/20 0.70
HTR6 P50406 4/20 0.70
ADRA1D P25100 2/20 0.69
ADRA1B P35368 2/20 0.69
LMNA P02545 1/20 0.61
CHRM2 P08172 1/20 0.61
ADRA2A P08913 1/20 0.61
CHRM1 P11229 1/20 0.61
DRD1 P21728 1/20 0.61
TBXA2R P21731 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
ADRA1A P35348 1/20 0.61
OPRM1 P35372 1/20 0.61
DRD3 P35462 1/20 0.61
SLC6A3 Q01959 1/20 0.61
KCNH2 Q12809 1/20 0.61

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
SCHEMBL8831833 0.97 HTR2A (0.67) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL8831371 0.91 HTR2A (0.68) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL8831391 0.90 HTR7 (0.62) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL8831356 0.90 HTR2A (0.60) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL8831368 0.90 HTR2A (0.60) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL8831337 0.90 HTR2A (0.60) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL8831867 0.88 HTR2A (0.60) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL8831323 0.88 HTR2A (0.59) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL10843227 0.85 HTR2A (0.67) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL7285152 0.85 HTR2A (0.67) HTR2AHTR1ADRD2HTR7HTR6

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-0635506-A1 COMPOUND WITH ANTIPSYCHOTIC EFFECT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-01-25 EP claimed
CN-1050604-C Compound with antipsychotic effect MEIJI SEIKA KABUSHIKA KAISHA (JP) 2000-03-22 CN disclosed
US-5599815-A SIDE EFFECT REDUCTION MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-02-04 US disclosed
EP-0635506-A1 COMPOUND WITH ANTIPSYCHOTIC EFFECT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-01-25 EP disclosed