SCHEMBL9844858

SCHEMBL9844858

O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 1.00
ADRA1B P35368 6/20 0.72
ADRA1A P35348 4/20 0.69
HTR7 P34969 2/20 0.67
DRD2 P14416 3/20 0.66
ADRA1D P25100 3/20 0.66

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
SCHEMBL9844900 0.94 HTR1A (0.88) HTR1AADRA1BADRA1AHTR7DRD2
SCHEMBL10521533 0.84 HTR1A (0.72) HTR1AHTR7
Hydrochloric Acid SCHEMBL10566798 0.83 HTR1A (0.71) HTR1AHTR7
SCHEMBL6580134 0.82 HTR1A (1.00) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL6754644 0.80 HTR1A (1.00) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL7668123 0.79 HTR7 (0.95) HTR1AHTR7DRD2
SCHEMBL6865196 0.78 HTR7 (0.87) HTR1AHTR7DRD2
SCHEMBL9229653 0.78 HTR1A (1.00) HTR1AADRA1BADRA1ADRD2ADRA1D
Hydrochloric Acid SCHEMBL6866824 0.78 HTR7 (0.93) HTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL7663753 0.77 HTR7 (0.85) HTR1AHTR7DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0447345-A2 New Azaspyro [4.5] decane-7,9-dione derivatives FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1991-09-18 EP claimed