SCHEMBL7055320

SCHEMBL7055320

O=C(NCCCCN1CCC(Oc2cccc(C(F)(F)F)c2)CC1)c1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.57
DRD2 P14416 10/20 0.57
HTR2A P28223 5/20 0.57
HTR2C P28335 4/20 0.57
HTR1A P08908 4/20 0.57
ADRA1A P35348 2/20 0.55
PLD1 Q13393 4/20 0.49
PLD2 O14939 3/20 0.49
PPARD Q03181 1/20 0.47
SLC5A7 Q9GZV3 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1D P25100 1/20 0.46
HRH1 P35367 1/20 0.46
ADRA1B P35368 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL7054406 0.85 DRD3 (0.57) DRD3DRD2HTR2AHTR2CHTR1A
SCHEMBL7057298 0.85 DRD2 (0.57) DRD3DRD2HTR2AHTR2CHTR1A
SCHEMBL7058761 0.82 DRD2 (0.53) DRD3DRD2HTR2AHTR2CHTR1A
SCHEMBL7050625 0.82 DRD2 (0.54) DRD3DRD2HTR2AHTR2CHTR1A
SCHEMBL7115347 0.77 DRD3 (0.49) DRD3DRD2HTR2AHTR2CHTR1A
SCHEMBL4521349 0.75 DRD3 (0.73) DRD3DRD2HTR2AHTR2CHTR1A
SCHEMBL7059254 0.74 DRD3 (0.65) DRD3DRD2HTR2AHTR2CHTR1A
SCHEMBL7057584 0.73 DRD3 (0.69) DRD3DRD2ADRA1A
SCHEMBL5540260 0.72 TP53 (0.51) DRD2HTR1AHRH1
SCHEMBL4533987 0.72 SLC6A4 (0.72) DRD3DRD2HTR2AHTR2CHTR1A

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