SCHEMBL9411643

SCHEMBL9411643

COc1ccc2c(CCC3CCN(Cc4ccc(NC(C)=O)cc4)CC3)noc2c1OC

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.62
BCHE P06276 3/20 0.62
CCR5 P51681 2/20 0.45
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44

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
SCHEMBL9411486 0.90 ACHE (0.63) ACHEBCHE
SCHEMBL9411341 0.86 ACHE (0.66) ACHEBCHE
SCHEMBL9411310 0.86 ACHE (0.66) ACHEBCHE
SCHEMBL9411357 0.85 ACHE (0.54) ACHEBCHE
SCHEMBL9411202 0.85 ACHE (0.58) ACHEBCHE
SCHEMBL4488641 0.85 ACHE (0.79) ACHEBCHE
SCHEMBL9411318 0.84 ACHE (0.66) ACHEBCHE
SCHEMBL9411191 0.84 ACHE (0.56) ACHEBCHE
SCHEMBL9411583 0.83 ACHE (0.61) ACHEBCHE
SCHEMBL9411386 0.81 ACHE (0.51) 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