SCHEMBL9411441

SCHEMBL9411441

Fc1ccc(CN2CCC(CCc3noc4cc(F)ccc34)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 18/20 0.67
BCHE P06276 1/20 0.59
DRD2 P14416 1/20 0.56
HTR2A P28223 1/20 0.56
HTR7 P34969 1/20 0.56
HTR6 P50406 1/20 0.56

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
SCHEMBL9411561 0.95 ACHE (0.64) ACHEBCHE
SCHEMBL9411480 0.94 ACHE (0.77) ACHEBCHE
SCHEMBL9411538 0.94 ACHE (0.67) ACHEDRD2HTR2AHTR7HTR6
SCHEMBL9411655 0.93 ACHE (0.64) ACHEBCHEDRD2HTR2AHTR7
SCHEMBL9411479 0.90 DRD2 (0.57) ACHEDRD2HTR2AHTR7HTR6
SCHEMBL9411516 0.89 ACHE (0.62) ACHEBCHEDRD2HTR2AHTR7
SCHEMBL9411429 0.89 ACHE (0.63) ACHEDRD2HTR2AHTR7HTR6
SCHEMBL9411346 0.87 ACHE (0.77) ACHEBCHE
SCHEMBL9411424 0.87 ACHE (0.64) ACHEDRD2HTR2AHTR7HTR6
Fumaric Acid SCHEMBL9411615 0.86 ACHE (0.74) ACHEBCHE

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