SCHEMBL9035121

SCHEMBL9035121

O=C1c2cccc3cccc(c23)C(=O)N1OCCN1CCC(c2c[nH]c3cccc(F)c23)CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.41
HTR2A P28223 1/20 0.41
HTR1A P08908 4/20 0.41
SLC6A4 P31645 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADRA1D P25100 1/20 0.38

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
SCHEMBL9033650 0.87 KDM4E (0.47) HTR7HTR2AHTR1ASLC6A4
SCHEMBL9034191 0.84 DRD2 (0.57) HTR7HTR2AHTR1ASLC6A4ADRA1D
SCHEMBL9035549 0.84 HTR1A (0.59) HTR7HTR2AHTR1ASLC6A4
SCHEMBL9033100 0.78 TDP1 (0.43) HTR7HTR2AHTR1ASLC6A4TDP1
SCHEMBL8878576 0.77 SLC6A4 (0.55) HTR2AHTR1ASLC6A4ADRA1D
SCHEMBL9034861 0.76 KDM4E (0.47) HTR7HTR2AHTR1A
SCHEMBL9035214 0.76 MEN1 (0.47) HTR7HTR2AHTR1ASLC6A4
SCHEMBL8879463 0.75 SLC6A4 (0.62) HTR1ASLC6A4ADRA1D
SCHEMBL5380517 0.74 HTR1F (0.48) HTR7HTR2AHTR1ASLC6A4ADRA1D
SCHEMBL9033610 0.74 MEN1 (0.45) HTR7HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 EP disclosed