SCHEMBL7807511

SCHEMBL7807511

ClCCN1CCN(c2cc(Br)cc3c2OCCO3)CC1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 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
SCHEMBL7821489 0.85 HTR1A (0.46) HTR1A
SCHEMBL7815137 0.81 HTR1A (0.61) HTR1A
SCHEMBL8691042 0.78 HTR1A (0.65) HTR1A
SCHEMBL7817890 0.76 HTR1A (0.74) HTR1A
SCHEMBL7808439 0.76 ADRB1 (0.59)
Hydrochloric Acid SCHEMBL4182188 0.74 ADRB1 (0.57)
SCHEMBL5916271 0.74 HTR1A (0.42) HTR1A
SCHEMBL7807894 0.73 DRD2 (0.43) HTR1A
SCHEMBL2303114 0.72 HTR1A (0.60) HTR1A
SCHEMBL7815669 0.71 HTR1A (0.68) HTR1A

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