SCHEMBL6584486

SCHEMBL6584486

COc1ccc2c(c1)CC(NC1CCN(c3cccc4c3OCCC4)CC1)C2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.44
NPY5R Q15761 1/20 0.44
HTR1A P08908 8/20 0.43
DRD2 P14416 6/20 0.42
HTR2A P28223 2/20 0.42
DRD4 P21917 3/20 0.42
AVPR1A P37288 1/20 0.40
AVPR1B P47901 1/20 0.40
DRD3 P35462 3/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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 0.86 HTR1A (0.47) HTR1ADRD2HTR2A
SCHEMBL6583374 0.86 HTR1A (0.58) HTR1ADRD2
SCHEMBL6584899 0.85 HTR1A (0.46) HTR1ADRD2HTR2ADRD4DRD3
SCHEMBL6582162 0.85 HTR1A (0.57) HTR1ADRD2HTR2A
SCHEMBL6583915 0.82 HTR1A (0.45) HTR1ADRD2HTR2ADRD1
SCHEMBL6582184 0.80 HTR1A (0.40) HTR1ADRD2HTR2A
SCHEMBL6582770 0.78 HTR1A (0.49) HTR1ADRD2HTR2ADRD3
SCHEMBL6585033 0.76 HTR1A (0.47) HTR1ADRD2HTR2A
SCHEMBL6581720 0.75 HTR1A (0.49) HTR1A
SCHEMBL7481888 0.72 HTR1A (0.59) 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 5 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
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