SCHEMBL5599463

SCHEMBL5599463

O=C1CCCC(=O)N1C[C@@H](O)CN1CCN(c2cc(F)ccc2OC2Cc3ccccc3C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.44
HTR7 P34969 9/20 0.44
DRD2 P14416 8/20 0.44
HTR6 P50406 2/20 0.43
PER2 O15055 2/20 0.43
CRY2 Q49AN0 2/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
PRMT5 O14744 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 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
SCHEMBL5598889 1.00 HTR1A (0.44) HTR1AHTR7DRD2HTR6PER2
SCHEMBL5598874 1.00 HTR1A (0.44) HTR1AHTR7DRD2HTR6PER2
Hydrochloric Acid SCHEMBL5599083 0.99 HTR1A (0.45) HTR1AHTR7DRD2HTR6PER2
SCHEMBL4522919 0.90 HTR1A (0.42) HTR1AHTR7DRD2HTR6DRD1
Hydrochloric Acid SCHEMBL4525100 0.89 HTR1A (0.43) HTR1AHTR7DRD2HTR6DRD1
SCHEMBL4528441 0.82 ADRA1D (0.53) HTR1AHTR7DRD2HTR6ADRA1D
Hydrochloric Acid SCHEMBL4534062 0.81 ADRA1D (0.52) HTR1AHTR7DRD2HTR6ADRA1D
SCHEMBL4521352 0.80 HTR1A (0.47) HTR1AHTR7DRD2HTR6DRD1
SCHEMBL5598872 0.80 PDE4B (0.34) ALDH1A1DRD1DRD4DRD3PRMT5
Hydrochloric Acid SCHEMBL4517586 0.80 HTR1A (0.47) HTR1AHTR7DRD2HTR6LMNA

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-2007029078-A2 SUCCINIMIDE AND GLUTARIMIDE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed