SCHEMBL9411577

SCHEMBL9411577

Fc1ccc2c(OCCCC3CCN(Cc4ccc(Cl)cc4)CC3)noc2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.53
DRD2 P14416 13/20 0.53
HTR2A P28223 13/20 0.53
HRH3 Q9Y5N1 13/20 0.53
HTR2C P28335 2/20 0.51
ADRA1A P35348 2/20 0.51
HRH1 P35367 2/20 0.51
DRD3 P35462 2/20 0.51
HTR6 P50406 2/20 0.51
KCNH2 Q12809 2/20 0.51
ACHE P22303 1/20 0.49

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
SCHEMBL9411298 0.95 HTR2A (0.51) HTR1ADRD2HTR2AHRH3HTR2C
SCHEMBL9411496 0.95 HTR1A (0.55) HTR1ADRD2HTR2AHRH3HTR2C
SCHEMBL9411659 0.90 HTR1A (0.51) HTR1ADRD2HTR2AHRH3HTR2C
SCHEMBL9411656 0.90 HTR1A (0.54) HTR1ADRD2HTR2AHRH3HTR2C
SCHEMBL9411323 0.87 SLC6A2 (0.54) HTR1ADRD2HTR2AHRH3HTR2C
SCHEMBL9411412 0.86 ACHE (0.61) HTR1ADRD2HTR2AHRH3ACHE
SCHEMBL9411603 0.85 ACHE (0.50) HTR1ADRD2HTR2AHRH3HTR2C
SCHEMBL9411429 0.84 ACHE (0.63) DRD2HTR2AHTR6ACHE
SCHEMBL9411590 0.83 ACHE (0.46) HTR1ADRD2HTR2AHRH3HTR2C
SCHEMBL9411525 0.82 ACHE (0.47) HTR1ADRD2HTR2AHRH3HTR2C

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