SCHEMBL7808218

SCHEMBL7808218

N#CCCCN1CCN(c2cc(Cl)cc3c2OCCO3)CC1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.43
HTR1A P08908 4/20 0.43

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
SCHEMBL7818467 0.83 HTR1A (0.47) DRD2HTR1A
SCHEMBL7821489 0.82 HTR1A (0.46) DRD2HTR1A
SCHEMBL7817369 0.76 HTR1A (0.39) DRD2HTR1A
SCHEMBL31052148 0.76 HTR1A (0.52) DRD2HTR1A
SCHEMBL7830351 0.76 HTR1A (0.74) DRD2HTR1A
SCHEMBL31051992 0.75 HTR1A (0.50) DRD2HTR1A
SCHEMBL7820641 0.74 HTR1A (0.40) DRD2HTR1A
SCHEMBL7830823 0.74 DRD3 (0.61) DRD2HTR1A
SCHEMBL7807803 0.74 HTR1A (0.62) DRD2HTR1A
SCHEMBL31051799 0.74 HTR1A (0.52) DRD2HTR1A

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