SCHEMBL9681618

SCHEMBL9681618

Fc1ccc2c(N3CCN(C4Cc5ccccc5C4)CC3)noc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.48
DRD2 P14416 8/20 0.48
HTR1A P08908 4/20 0.48
HTR7 P34969 2/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2C P28335 1/20 0.41
KCNH2 Q12809 1/20 0.41
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
PMP22 Q01453 1/20 0.39
ACHE P22303 2/20 0.39

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
SCHEMBL9680137 0.85 DPP4 (0.48) HTR2ADRD2HTR1AHTR7ALDH1A1
SCHEMBL9377068 0.80 ACHE (0.60) HTR2ADRD2HTR1AHTR2CACHE
SCHEMBL9187663 0.78 HTR2A (0.53) HTR2ADRD2HTR1AHTR7HTR2C
Hydrochloric Acid SCHEMBL9722317 0.77 HTR2A (0.52) HTR2ADRD2HTR1AHTR7HTR2C
SCHEMBL531012 0.76 ACHE (0.52) HTR2ADRD2HTR1AHTR7ALDH1A1
Hydrochloric Acid SCHEMBL14128737 0.75 ACHE (0.51) HTR2ADRD2HTR1AHTR7ALDH1A1
SCHEMBL2540345 0.75 HTR2A (0.45) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL9722234 0.74 HTR2A (0.60) HTR2ADRD2HTR1AHTR7HTR2C
SCHEMBL9722237 0.74 HTR2A (0.60) HTR2ADRD2HTR1AHTR7HTR2C
SCHEMBL6218345 0.74 DRD2 (0.47) HTR2ADRD2HTR1AHTR7HTR2C

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
US-5173490-A Antipsychotic drugs having no side effects; anxiolytic agents; analgesics; tranquilizers; sedatives; antidepressants ADIR ET COMPAGNIE (FR) 1992-12-22 US claimed
EP-0494817-A1 Benzisoxazole and benzisothiazole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-07-15 EP claimed
US-5173490-A Antipsychotic drugs having no side effects; anxiolytic agents; analgesics; tranquilizers; sedatives; antidepressants ADIR ET COMPAGNIE (FR) 1992-12-22 US disclosed
EP-0494817-A1 Benzisoxazole and benzisothiazole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-07-15 EP disclosed