SCHEMBL7210649

SCHEMBL7210649

C=CCN(C)CCCCCCOC1CCC(N(CCCCC)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LSS P48449 9/20 0.47
CCR5 P51681 8/20 0.42
ELANE P08246 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7210650 1.00 LSS (0.47) LSSCCR5ELANEL3MBTL1
SCHEMBL4798935 0.93 LSS (0.49) LSSCCR5L3MBTL1
SCHEMBL4798925 0.93 LSS (0.49) LSSCCR5L3MBTL1
SCHEMBL4802753 0.93 LSS (0.50) LSSCCR5L3MBTL1
SCHEMBL4802760 0.93 LSS (0.50) LSSCCR5L3MBTL1
SCHEMBL4802988 0.91 LSS (0.49) LSSCCR5L3MBTL1
SCHEMBL4802996 0.91 LSS (0.49) LSSCCR5L3MBTL1
SCHEMBL4804179 0.89 LSS (0.52) LSSCCR5L3MBTL1
SCHEMBL4804176 0.89 LSS (0.52) LSSCCR5L3MBTL1
SCHEMBL7206156 0.89 CCR5 (0.43) LSSCCR5L3MBTL1

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
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed