SCHEMBL6598069

SCHEMBL6598069

O=C(CCN1CCN(c2cccc3c2OCCO3)CC1)c1csc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.58
SOD1 P00441 1/20 0.57
HTR1A P08908 9/20 0.51
HTR1D P28221 1/20 0.47

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
SCHEMBL6597228 0.83 HTR1A (0.75) HTR7HTR1AHTR1D
SCHEMBL6598408 0.83 HTR1A (0.51) HTR1AHTR1D
SCHEMBL6597518 0.82 HTR1A (0.68) HTR7SOD1HTR1AHTR1D
SCHEMBL6597220 0.81 HTR7 (0.59) HTR7SOD1HTR1AHTR1D
Hydrochloric Acid SCHEMBL6598609 0.80 HTR1A (0.73) HTR7SOD1HTR1AHTR1D
Hydrochloric Acid SCHEMBL7982250 0.76 HTR7 (0.63) HTR7SOD1HTR1AHTR1D
SCHEMBL6599305 0.76 HTR1A (0.69) HTR7SOD1HTR1AHTR1D
SCHEMBL9143202 0.69 DRD2 (0.65) HTR1A
SCHEMBL6598338 0.69 HTR7 (0.52) HTR7SOD1HTR1A
SCHEMBL6598390 0.68 HTR1A (0.82) HTR1AHTR1D

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
EP-1337528-B1 BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF VITA LAB (ES) 2004-08-04 EP claimed