SCHEMBL7970944

SCHEMBL7970944

COc1ccccc1N1CCN(CC/C(=N/O)c2sc3ccc(C)cc3c2C)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.50
DRD4 P21917 1/20 0.49
DRD2 P14416 3/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR1D P28221 2/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
DRD3 P35462 1/20 0.46
MEN1 O00255 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
SCHEMBL7970947 1.00 HTR1A (0.50) HTR1ADRD4DRD2HTR2AHTR7
SCHEMBL6600129 0.91 HTR1A (0.55) HTR1ADRD4DRD2HTR7ADRA1A
SCHEMBL6600132 0.91 HTR1A (0.55) HTR1ADRD4DRD2HTR7ADRA1A
SCHEMBL6598932 0.89 HTR1A (0.61) HTR1ADRD4DRD2HTR1DKMT2A
Hydrochloric Acid SCHEMBL6597392 0.88 HTR1A (0.60) HTR1ADRD4DRD2HTR2AHTR7
SCHEMBL6598221 0.79 HTR1A (0.62) HTR1ADRD2HTR2AHTR7ADRA1A
Hydrochloric Acid SCHEMBL6599492 0.78 HTR1A (0.66) HTR1ADRD2HTR2AHTR7ADRA1A
SCHEMBL8120660 0.78 DRD4 (0.58) HTR1ADRD4DRD2ADRA1AHTR1D
SCHEMBL6351477 0.76 DRD4 (0.76) HTR1ADRD4DRD2HTR2AADRA1A
SCHEMBL6351475 0.76 DRD4 (0.76) HTR1ADRD4DRD2HTR2AADRA1A

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
US-6262056-B1 TREATING ANXIETY OR DEPRESSION VITA-INVEST, SA (ES) 2001-07-17 US disclosed