SCHEMBL27596333

SCHEMBL27596333

C=CCN(C)CCCOC1CCC(CNC(=O)Oc2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LSS P48449 15/20 0.54
LTA4H P09960 2/20 0.38
FAAH O00519 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL27596423 0.91 LSS (0.48) LSSMEN1KMT2A
SCHEMBL27578412 0.89 LSS (0.48) LSSMEN1KMT2A
SCHEMBL28749500 0.88 LSS (0.47) LSSMEN1KMT2A
SCHEMBL4802756 0.86 LSS (0.50) LSSMEN1KMT2A
SCHEMBL4799256 0.82 LSS (0.61) LSSLTA4HMEN1KMT2A
SCHEMBL4799266 0.82 LSS (0.61) LSSLTA4HMEN1KMT2A
SCHEMBL4804262 0.79 LSS (0.64) LSSMEN1KMT2A
SCHEMBL4804515 0.79 LSS (0.64) LSSMEN1KMT2A
SCHEMBL4804268 0.79 LSS (0.64) LSSMEN1KMT2A
SCHEMBL4810164 0.79 LSS (0.64) LSSMEN1KMT2A

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