SCHEMBL9411491

SCHEMBL9411491

O=C(Nc1ccc2onc(CCC3CCN(Cc4ccccc4)CC3)c2c1)c1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 19/20 0.87
BCHE P06276 5/20 0.71

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
SCHEMBL7090686 0.93 ACHE (1.00) ACHEBCHE
SCHEMBL9411207 0.90 ACHE (0.86) ACHEBCHE
SCHEMBL9411550 0.86 ACHE (0.66) ACHEBCHE
SCHEMBL9411584 0.86 ACHE (0.84) ACHEBCHE
Fumaric Acid SCHEMBL9411554 0.85 ACHE (0.86) ACHEBCHE
Fumaric Acid SCHEMBL9411559 0.85 ACHE (0.86) ACHEBCHE
SCHEMBL252472 0.83 ACHE (1.00) ACHEBCHE
SCHEMBL9411518 0.82 ACHE (0.82) ACHEBCHE
Hydrochloric Acid SCHEMBL9411591 0.82 ACHE (0.98) ACHEBCHE
SCHEMBL9411388 0.81 ACHE (0.84) 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