SCHEMBL6582204

SCHEMBL6582204

OC1CCOc2c1cccc2N1CCC(NC2Cc3cc4c(cc3C2)OCO4)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.42
DRD2 P14416 3/20 0.36
HTR2A P28223 2/20 0.36
DRD3 P35462 2/20 0.36
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
DRD1 P21728 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL22410924 1.00 HTR1A (0.42) HTR1ADRD2HTR2ADRD3ADRA1D
SCHEMBL6581590 0.83 HTR1A (0.50) HTR1ADRD2HTR2ADRD3ADRA1D
SCHEMBL6585810 0.83 DRD2 (0.40) DRD2HTR2ADRD3
SCHEMBL6583915 0.81 HTR1A (0.45) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL7480063 0.74 HTR1A (0.50) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL7483007 0.74 HTR1A (0.50) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL7480273 0.74 HTR1A (0.50) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL7480058 0.74 HTR1A (0.50) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL6583413 0.72 ADRB1 (0.50) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL6585688 0.72 HTR1A (0.50) HTR1AADRA1DADRA1AADRA1BALDH1A1

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
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
EP-0861837-B1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-04-28 EP 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