SCHEMBL27596231

SCHEMBL27596231

CN(CCO)CCCCCCOC1CCC(NCc2cc(F)c(F)cc2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.36
BACE1 P56817 1/20 0.33
KCNH2 Q12809 1/20 0.33
PABPC1 P11940 1/20 0.30

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
SCHEMBL4804022 0.90 LSS (0.34) LSSBACE1KCNH2
SCHEMBL4804013 0.90 LSS (0.34) LSSBACE1KCNH2
SCHEMBL4804645 0.71 HTR2A (0.49)
SCHEMBL4804638 0.71 HTR2A (0.49)
SCHEMBL4809129 0.69 GRIN2B (0.42) BACE1
SCHEMBL4809126 0.69 GRIN2B (0.42) BACE1
SCHEMBL27581069 0.67 LSS (0.36) LSS
SCHEMBL4803717 0.66 EPHX2 (0.32) LSS
SCHEMBL4803724 0.66 EPHX2 (0.32) LSS
SCHEMBL4805368 0.65 EPHX2 (0.33) LSS

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
CN-1468214-A Novel derivatives of aminocyclohexane - 2004-01-14 CN disclosed