SCHEMBL4125158

SCHEMBL4125158

NCc1c(OCc2ccccc2)ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 20/20 0.62
BCHE P06276 2/20 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
SCHEMBL4126756 0.92 ACHE (0.61) ACHEBCHE
SCHEMBL4127330 0.89 ACHE (0.62) ACHEBCHE
Hydrochloric Acid SCHEMBL4131449 0.88 ACHE (0.61) ACHEBCHE
SCHEMBL13966089 0.86 ACHE (0.57) ACHEBCHE
SCHEMBL4120346 0.85 ACHE (0.58) ACHEBCHE
SCHEMBL9411285 0.84 ACHE (0.75) ACHEBCHE
Hydrochloric Acid SCHEMBL4120329 0.84 ACHE (0.57) ACHEBCHE
SCHEMBL4120929 0.84 ACHE (0.59) ACHEBCHE
SCHEMBL4418006 0.84 ACHE (0.60) ACHEBCHE
Hydrochloric Acid SCHEMBL4112098 0.84 ACHE (0.58) 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-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP disclosed