SCHEMBL6585844

SCHEMBL6585844

CC(=O)OC1CCOc2c1cccc2N1CCC(N)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
ACACB O00763 1/20 0.36
NOTUM Q6P988 1/20 0.35
HTR1A P08908 2/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34
DRD3 P35462 2/20 0.34
PRKCA P17252 1/20 0.33
PRKCQ Q04759 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6583942 0.84 NOTUM (0.36) TRPV1ACACBNOTUMHTR1AMTNR1A
SCHEMBL6585810 0.79 DRD2 (0.40) MTNR1AMTNR1BDRD2HTR2ADRD3
SCHEMBL8485654 0.78 POLB (0.36) DRD2SMN1; SMN2
SCHEMBL8478242 0.71 POLB (0.41) KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL30812977 0.69 POLB (0.44) TRPV1NOTUMDRD2SMN1; SMN2
SCHEMBL9785817 0.69 POLB (0.44) TRPV1NOTUMDRD2SMN1; SMN2
SCHEMBL6582931 0.69 ADRB1 (0.63) HTR1AALDH1A1LMNA
SCHEMBL6583554 0.68 ADRA1D (0.52) HTR1AALDH1A1LMNA
SCHEMBL6585849 0.67 BRD4 (0.40) TRPV1PIM1PIM3PIM2
SCHEMBL6585026 0.66 HTR1A (0.50) HTR1ADRD2HTR2AALDH1A1LMNA

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