SCHEMBL7212244

SCHEMBL7212244

CCCCCN(C)CCCCO[C@H]1CC[C@H](N(C)C(=O)Oc2ccc(F)c(F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.47
ACHE P22303 8/20 0.43
HTR2A P28223 1/20 0.35

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
SCHEMBL7212242 1.00 LSS (0.47) LSSACHEHTR2A
SCHEMBL4797705 0.96 LSS (0.52) LSSACHE
SCHEMBL4797699 0.96 LSS (0.52) LSSACHE
SCHEMBL4806221 0.90 LSS (0.44) LSSACHE
SCHEMBL4806215 0.90 LSS (0.44) LSSACHE
SCHEMBL4802306 0.89 LSS (0.50) LSSACHE
SCHEMBL4802308 0.89 LSS (0.50) LSSACHE
SCHEMBL7205855 0.88 LSS (0.49) LSSACHE
SCHEMBL7205863 0.88 LSS (0.49) LSSACHE
SCHEMBL4805269 0.88 LSS (0.57) LSSACHE

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