SCHEMBL7346162

SCHEMBL7346162

OC(CCN1CCC2(CCCC2)CC1)c1ccc(F)cc1I

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.38
DRD2 P14416 4/20 0.36
SIGMAR1 Q99720 3/20 0.36
DRD3 P35462 2/20 0.36
LMNA P02545 1/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A4 P31645 2/20 0.36
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL7349099 0.88 HTR1A (0.39) HTR1ADRD2SIGMAR1DRD3LMNA
SCHEMBL7348333 0.87 HTR1A (0.42) HTR1ADRD2SIGMAR1SLC6A3SLC6A4
SCHEMBL7347489 0.85 HTR1A (0.38) HTR1ADRD2SIGMAR1DRD3LMNA
SCHEMBL7354949 0.83 HTR1A (0.34) HTR1ADRD2SIGMAR1DRD3LMNA
SCHEMBL7346715 0.79 HTR1A (0.54) HTR1ADRD2SIGMAR1DRD3LMNA
SCHEMBL7349078 0.78 HTR1A (0.35) HTR1ADRD2SIGMAR1DRD3LMNA
SCHEMBL7346150 0.77 CYP2D6 (0.35) HTR1ADRD2SLC6A4ADRA1BKCNH2
SCHEMBL7350499 0.73 DRD2 (0.44) HTR1ADRD2SIGMAR1DRD3SLC6A3
SCHEMBL7346136 0.72 HTR1A (0.39) HTR1ADRD2SIGMAR1DRD3LMNA
SCHEMBL7350624 0.72 PER2 (0.37) HTR1A

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-0972764-A1 Aminoalcohols and aminoketones as CNS active agents Universita Degli Studi di Firenze (IT) 2000-01-19 EP claimed
EP-0972764-A1 Aminoalcohols and aminoketones as CNS active agents Universita Degli Studi di Firenze (IT) 2000-01-19 EP disclosed