SCHEMBL7051610

SCHEMBL7051610

O=C1c2ccccc2C(=O)N1CCCCN1CCC(Nc2cc(F)cc(F)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.60
ALDH1A1 P00352 1/20 0.55
HTR1A P08908 4/20 0.54
HTR7 P34969 1/20 0.54
HRH1 P35367 1/20 0.54
DRD3 P35462 1/20 0.54
HTR2B P41595 1/20 0.54

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
SCHEMBL7057848 0.87 DRD2 (0.59) DRD2ALDH1A1HTR1AHTR7HRH1
SCHEMBL7051849 0.85 DRD2 (0.57) DRD2ALDH1A1HTR1AHTR7HRH1
SCHEMBL7056214 0.81 DRD2 (0.55) DRD2ALDH1A1HTR1AHTR7HRH1
SCHEMBL7057303 0.79 DRD2 (0.55) DRD2ALDH1A1HTR1AHTR7HRH1
SCHEMBL7057313 0.76 DRD2 (0.62) DRD2
SCHEMBL29459507 0.76 HTR1A (0.62) DRD2ALDH1A1HTR1AHTR7HRH1
SCHEMBL26992312 0.76 HTR1A (0.62) DRD2ALDH1A1HTR1AHTR7HRH1
SCHEMBL7056570 0.75 DRD2 (1.00) DRD2ALDH1A1HTR1AHTR7DRD3
SCHEMBL14028451 0.75 HTR1A (0.79) DRD2HTR1ADRD3
SCHEMBL5730330 0.74 HTR1A (0.63) DRD2ALDH1A1HTR1AHTR7HRH1

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
WO-2003028725-A1 4-(1-PIPERIDINY)-BUTYLCARBOXAMIDE AS D3 DOPAMINE RECEPTOR SUBTYPE SELECTIVE LIGANDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-04-10 WO disclosed