SCHEMBL6584899

SCHEMBL6584899

Oc1ccc2c(c1)CC(NC1CCN(c3cccc4c3OCCC4)CC1)C2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.46
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD2 P14416 7/20 0.38
HTR2A P28223 3/20 0.38
KIF18A Q8NI77 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
PMP22 Q01453 1/20 0.36
DRD4 P21917 4/20 0.36
DRD3 P35462 4/20 0.36
DRD1 P21728 3/20 0.36
DRD5 P21918 3/20 0.36

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
SCHEMBL6585910 0.89 HTR1A (0.47) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL6582162 0.87 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL6583915 0.85 HTR1A (0.45) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL6585688 0.85 HTR1A (0.50) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL6584486 0.85 NPY1R (0.44) HTR1ADRD2HTR2ADRD4DRD3
SCHEMBL6582184 0.83 HTR1A (0.40) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL6582770 0.81 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL6585033 0.78 HTR1A (0.47) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL7482608 0.76 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL7479086 0.76 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861837-B1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-04-28 EP claimed
CN-1090627-C New 2-amino-1,2-indene compounds, process for their preparation and pharmaceutical compositions containing them SEUER LAB (FR) 2002-09-11 CN claimed
CN-1194983-A New 2-amino-1,2-indene compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-10-07 CN claimed
EP-0861837-A1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-09-02 EP claimed
EP-0861837-B1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-04-28 EP disclosed
US-5968954-A EXHIBIT SELECTIVE BINDING AFFINITY FOR 5-HYDROXYTRYPTAMINE RECEPTORS ADIR ET COMPAGNIE (FR) 1999-10-19 US disclosed
EP-0861837-A1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-09-02 EP disclosed