SCHEMBL8169796

SCHEMBL8169796

O=c1cccccc1N1CCN(Cc2ccccc2-c2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 15/20 0.71
DRD2 P14416 2/20 0.61
DRD4 P21917 2/20 0.61
DRD3 P35462 2/20 0.61
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PLA2G1B P04054 1/20 0.50
RAB9A P51151 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48

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
SCHEMBL15938089 0.88 HTR7 (0.78) HTR7DRD2DRD4DRD3KDM4E
SCHEMBL15938032 0.84 HTR7 (0.72) HTR7DRD2DRD4DRD3KDM4E
SCHEMBL15937801 0.83 HTR7 (1.00) HTR7DRD2DRD4DRD3HRH2
SCHEMBL15938248 0.83 HTR7 (0.71) HTR7DRD2DRD4DRD3KDM4E
SCHEMBL28230641 0.83 HTR7 (0.80) HTR7DRD2DRD4DRD3
SCHEMBL8172177 0.81 ALDH1A1 (0.77) HTR7DRD2DRD4DRD3KDM4E
SCHEMBL15938148 0.80 HTR7 (1.00) HTR7DRD2DRD4DRD3KDM4E
SCHEMBL29764254 0.80 HTR7 (1.00) HTR7DRD2DRD4DRD3KDM4E
SCHEMBL29764232 0.80 HTR7 (1.00) HTR7DRD2DRD4DRD3KDM4E
SCHEMBL15938556 0.80 HTR7 (0.74) HTR7DRD2DRD4DRD3HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000516629-A 2000-12-12 JP claimed
US-5998414-A PSYCHOLOGICAL DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1999-12-07 US claimed
EP-0929537-A1 TROPONYL PIPERAZINES AS SELECTIVE DOPAMINE D4 RECEPTOR LIGANDS HOECHST MARION ROUSSEL, INC. (US) 1999-07-21 EP claimed
WO-1998007711-A1 TROPONYL PIPERAZINES AS SELECTIVE DOPAMINE D4 RECEPTOR LIGANDS HOECHST MARION ROUSSEL, INC. (US) 1998-02-26 WO claimed
US-5998414-A PSYCHOLOGICAL DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1999-12-07 US disclosed
EP-0929537-A1 TROPONYL PIPERAZINES AS SELECTIVE DOPAMINE D4 RECEPTOR LIGANDS HOECHST MARION ROUSSEL, INC. (US) 1999-07-21 EP disclosed
WO-1998007711-A1 TROPONYL PIPERAZINES AS SELECTIVE DOPAMINE D4 RECEPTOR LIGANDS HOECHST MARION ROUSSEL, INC. (US) 1998-02-26 WO disclosed