SCHEMBL9411359

SCHEMBL9411359

Fc1ccc2c(CCCC3CCN(Cc4ccc5ccccc5c4)CC3)noc2c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.62
DRD2 P14416 3/20 0.60
HTR2A P28223 3/20 0.60
HTR7 P34969 3/20 0.60
HTR6 P50406 3/20 0.60
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51

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
SCHEMBL9411516 0.94 ACHE (0.62) ACHEDRD2HTR2AHTR7HTR6
SCHEMBL9411346 0.89 ACHE (0.77) ACHE
SCHEMBL9411538 0.89 ACHE (0.67) ACHEDRD2HTR2AHTR7HTR6
SCHEMBL9411429 0.87 ACHE (0.63) ACHEDRD2HTR2AHTR7HTR6
SCHEMBL9411424 0.85 ACHE (0.64) ACHEDRD2HTR2AHTR7HTR6
SCHEMBL9411323 0.85 SLC6A2 (0.54) ACHEDRD2HTR2AHTR7HTR6
SCHEMBL9411470 0.85 ACHE (0.59) ACHEDRD2HTR2AHTR7HTR6
SCHEMBL9411480 0.83 ACHE (0.77) ACHE
SCHEMBL9411441 0.83 ACHE (0.67) ACHEDRD2HTR2AHTR7HTR6
SCHEMBL9411418 0.83 ACHE (0.63) ACHEDRD2HTR2AHTR7HTR6

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