SCHEMBL27596290

SCHEMBL27596290

CC[C]1CCC(OCCCCCCN(C)CCOC)CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.34
SIGMAR1 Q99720 1/20 0.31
PIK3CD O00329 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
SCHEMBL27581069 0.86 LSS (0.36) LSSSIGMAR1
SCHEMBL27596433 0.81 SIGMAR1 (0.40) SIGMAR1
SCHEMBL4798361 0.78 LSS (0.33) LSSSIGMAR1PIK3CD
SCHEMBL4798372 0.78 LSS (0.33) LSSSIGMAR1PIK3CD
SCHEMBL4803717 0.77 EPHX2 (0.32) LSS
SCHEMBL4803724 0.77 EPHX2 (0.32) LSS
SCHEMBL4800948 0.76 CHRM2 (0.34) LSSPIK3CD
SCHEMBL4800954 0.76 LSS (0.32) LSSPIK3CD
SCHEMBL4800963 0.76 LSS (0.32) LSSPIK3CD
SCHEMBL4800942 0.76 CHRM2 (0.34) LSSPIK3CD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100455566-C Novel derivatives of aminocyclohexane HOFFMANN LA ROCHE (CH) 2009-01-28 CN disclosed
CN-1468214-A Novel derivatives of aminocyclohexane - 2004-01-14 CN disclosed