SCHEMBL7076338

SCHEMBL7076338

CC(C)(C)c1ccc(OCCCN2CC3CC(c4ccc(F)cc4)C3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.49
MAOB P27338 1/20 0.47
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
HTR2A P28223 1/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7073064 0.91 HTR1A (0.50) HRH3HTR1ADRD2DRD1DRD5
SCHEMBL7071917 0.85 KDM1A (0.51) HTR1ADRD2DRD1DRD5HTR2A
SCHEMBL7076875 0.85 LTA4H (0.48) HRH3HTR1ADRD2DRD1DRD5
SCHEMBL8989718 0.75 KDM1A (0.39) DRD2HTR2A
SCHEMBL7078780 0.74 MEN1 (0.51) HRH3HTR2ADRD3MEN1KMT2A
SCHEMBL7781178 0.73 KDM1A (0.45) HTR1ADRD2DRD1DRD5HTR2A
SCHEMBL7073067 0.72 KDM1A (0.39) DRD2HTR2A
SCHEMBL7480872 0.72 KDM1A (0.39) DRD2HTR2A
SCHEMBL9010705 0.72 SCN5A (0.44) HRH3HTR1ADRD2DRD1DRD5
SCHEMBL8989738 0.72 SLC18A3 (0.42) DRD2DRD3KDM4E

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-0740658-B1 N-SUBSTITUTED AZABICYCLOHEPTANE DERIVATIVES USED, FOR EXAMPLE, AS NEUROLEPTICS ABBOTT GMBH & CO KG (DE) 2003-07-02 EP disclosed
US-5616705-A N-substituted azabicycloheptane derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1997-04-01 US disclosed
EP-0740658-A1 N-SUBSTITUTED AZABICYCLOHEPTANE DERIVATIVES USED, FOR EXAMPLE, AS NEUROLEPTICS BASF AKTIENGESELLSCHAFT (DE) 1996-11-06 EP disclosed
WO-1995015312-A1 N-SUBSTITUTED AZABICYCLOHEPTANE DERIVATIVES USED, FOR EXAMPLE, AS NEUROLEPTICS BASF AKTIENGESELLSCHAFT (DE) 1995-06-08 WO disclosed