SCHEMBL9844900

SCHEMBL9844900

O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.88
HTR7 P34969 5/20 0.77
ADRA1B P35368 3/20 0.64
DRD2 P14416 1/20 0.63
DRD5 P21918 1/20 0.63
DRD3 P35462 1/20 0.63
ADRA1A P35348 1/20 0.60

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
SCHEMBL9844858 0.94 HTR1A (1.00) HTR1AHTR7ADRA1BDRD2ADRA1A
SCHEMBL10521533 0.86 HTR1A (0.72) HTR1AHTR7
Hydrochloric Acid SCHEMBL10566798 0.85 HTR1A (0.71) HTR1AHTR7
SCHEMBL7668123 0.84 HTR7 (0.95) HTR1AHTR7DRD2DRD5DRD3
SCHEMBL6865196 0.83 HTR7 (0.87) HTR1AHTR7DRD2DRD5DRD3
Hydrochloric Acid SCHEMBL6866824 0.83 HTR7 (0.93) HTR1AHTR7DRD2DRD5DRD3
Hydrochloric Acid SCHEMBL7663753 0.82 HTR7 (0.85) HTR1AHTR7DRD2DRD5DRD3
Hydrochloric Acid SCHEMBL9545425 0.81 HTR1A (0.64) HTR1AHTR7ADRA1BDRD2DRD3
SCHEMBL21802017 0.79 HTR7 (0.76) HTR1AHTR7ADRA1BDRD2DRD5
SCHEMBL11465528 0.79 SIGMAR1 (0.76) HTR1AHTR7DRD2DRD3ADRA1A

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 2 patents. 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
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 disclosed