SCHEMBL6585810

SCHEMBL6585810

CC(=O)OC1CCOc2c1cccc2N1CCC(NC2Cc3cc4c(cc3C2)OCO4)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.40
HTR2A P28223 16/20 0.40
DRD3 P35462 16/20 0.40
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 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
SCHEMBL22410924 0.83 HTR1A (0.42) DRD2HTR2ADRD3
SCHEMBL6582204 0.83 HTR1A (0.42) DRD2HTR2ADRD3
SCHEMBL6585844 0.79 TRPV1 (0.36) DRD2HTR2ADRD3MTNR1AMTNR1B
SCHEMBL6581590 0.77 HTR1A (0.50) DRD2HTR2ADRD3
SCHEMBL6583942 0.75 NOTUM (0.36) DRD2HTR2ADRD3MTNR1AMTNR1B
SCHEMBL6583915 0.74 HTR1A (0.45) DRD2HTR2A
SCHEMBL6581720 0.69 HTR1A (0.49)
SCHEMBL6583413 0.69 ADRB1 (0.50)
SCHEMBL8485654 0.67 POLB (0.36) DRD2
SCHEMBL7480063 0.67 HTR1A (0.50) DRD2

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-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