SCHEMBL9411323

SCHEMBL9411323

Fc1ccc2c(OCCCC3CCN(Cc4ccc5ccccc5c4)CC3)noc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
DRD2 P14416 13/20 0.50
HTR2A P28223 13/20 0.50
HTR1A P08908 12/20 0.50
HRH3 Q9Y5N1 12/20 0.50
HTR6 P50406 3/20 0.49
HTR2C P28335 2/20 0.49
ADRA1A P35348 2/20 0.49
HRH1 P35367 2/20 0.49
DRD3 P35462 2/20 0.49
KCNH2 Q12809 2/20 0.49
ACHE P22303 1/20 0.48
HTR7 P34969 1/20 0.46

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
SCHEMBL9411462 0.95 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3DRD2HTR2A
SCHEMBL9411496 0.90 HTR1A (0.55) DRD2HTR2AHTR1AHRH3HTR6
SCHEMBL9411577 0.87 HTR1A (0.53) DRD2HTR2AHTR1AHRH3HTR6
SCHEMBL9411549 0.86 SLC6A4 (0.54) SLC6A4SLC6A3DRD2HTR2AHTR1A
SCHEMBL9411359 0.85 ACHE (0.62) SLC6A2SLC6A4SLC6A3DRD2HTR2A
SCHEMBL9411659 0.85 HTR1A (0.51) DRD2HTR2AHTR1AHRH3HTR6
SCHEMBL9411412 0.85 ACHE (0.61) SLC6A3DRD2HTR2AHTR1AHRH3
SCHEMBL9411656 0.85 HTR1A (0.54) SLC6A3DRD2HTR2AHTR1AHRH3
SCHEMBL9411640 0.85 ACHE (0.50) SLC6A2SLC6A4SLC6A3DRD2ACHE
SCHEMBL9411590 0.84 ACHE (0.46) DRD2HTR2AHTR1AHRH3HTR6

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-0602242-A1 BENZISOXAZOLE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-22 EP disclosed