SCHEMBL9411531

SCHEMBL9411531

COc1ccc2c(CC3CCN(Cc4ccccc4)CC3)noc2c1OC

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.63
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
BCHE P06276 2/20 0.47
CCR3 P51677 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
BACE1 P56817 2/20 0.47

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
Fumaric Acid SCHEMBL9411345 0.93 ACHE (0.56) ACHEMEN1KMT2ABCHEDRD2
Fumaric Acid SCHEMBL9411339 0.93 ACHE (0.56) ACHEMEN1KMT2ABCHEDRD2
SCHEMBL4488641 0.90 ACHE (0.79) ACHEBCHE
SCHEMBL9411560 0.88 ACHE (0.70) ACHEBCHE
SCHEMBL9411285 0.84 ACHE (0.75) ACHEBCHE
SCHEMBL9411484 0.82 ACHE (0.52) ACHEMEN1KMT2ABCHEDRD2
SCHEMBL9411500 0.81 ACHE (0.68) ACHEBCHE
SCHEMBL9411576 0.81 ACHE (0.66) ACHEBCHE
SCHEMBL9411310 0.81 ACHE (0.66) ACHEBCHE
SCHEMBL9411341 0.81 ACHE (0.66) 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