SCHEMBL7821674

SCHEMBL7821674

ClCC(CN1CCN(c2cc(Cl)cc3c2OCCO3)CC1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.42
DRD2 P14416 1/20 0.42

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
SCHEMBL7826279 0.89 HTR1A (0.42) HTR1ADRD2
SCHEMBL7817369 0.88 HTR1A (0.39) HTR1ADRD2
SCHEMBL7807803 0.80 HTR1A (0.62) HTR1ADRD2
SCHEMBL7818385 0.78 HTR1A (0.58) HTR1ADRD2
SCHEMBL7821489 0.76 HTR1A (0.46) HTR1ADRD2
SCHEMBL9182994 0.74 HTR1A (0.46) HTR1ADRD2
SCHEMBL31051992 0.71 HTR1A (0.50) HTR1ADRD2
SCHEMBL7808218 0.70 DRD2 (0.43) HTR1ADRD2
SCHEMBL31052148 0.70 HTR1A (0.52) HTR1ADRD2
SCHEMBL31051799 0.70 HTR1A (0.52) HTR1ADRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633260-B1 2,3-Dihydro-1,4-benzodioxan-5-yl-piperazine derivatives having 5-HT1A-antagonistic activity DUPHAR INT RES (NL) 2001-11-07 EP disclosed
US-5462942-A 2,3-dihydro-1,4-benzodioxin-5-yl-piperazine derivatives having 5-HT 1A-antagonistic activity DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1995-10-31 US disclosed
EP-0633260-A1 2,3-Dihydro-1,4-benzodioxin-5-yl-piperazine derivatives having 5-HT1A-antagonistic activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1995-01-11 EP disclosed