SCHEMBL7078780

SCHEMBL7078780

Fc1ccc(C2CC3CN(CCCOc4cccc5ccccc45)CC32)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 1/20 0.48
HRH3 Q9Y5N1 9/20 0.47
DRD3 P35462 1/20 0.47
DRD4 P21917 1/20 0.47
HTR2A P28223 2/20 0.46
HTR7 P34969 2/20 0.46
HTR6 P50406 2/20 0.46
HTR1B P28222 1/20 0.40

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
SCHEMBL7071917 0.83 KDM1A (0.51) DRD3HTR2AHTR7HTR6
SCHEMBL7073064 0.82 HTR1A (0.50) MEN1KMT2AHRH3DRD3HTR2A
SCHEMBL7074984 0.81 MC4R (0.44)
SCHEMBL7136992 0.79 FAAH (0.45) DRD3
SCHEMBL7075390 0.79 OPRL1 (0.43) MEN1KMT2ADRD3DRD4HTR7
SCHEMBL7076875 0.76 LTA4H (0.48) MEN1KMT2AHRH3DRD3HTR2A
SCHEMBL8882719 0.76 HPGD (0.52) DRD3DRD4
SCHEMBL7076338 0.74 HRH3 (0.49) MEN1KMT2AHRH3DRD3HTR2A
SCHEMBL7781788 0.73 SLC18A3 (0.50) DRD3
SCHEMBL7781178 0.73 KDM1A (0.45) DRD3DRD4HTR2AHTR7

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-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