SCHEMBL7205040

SCHEMBL7205040

CCCCCN(C)CCCO[C@H]1CC[C@H](N(C)C(=O)Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LSS P48449 12/20 0.61
ACHE P22303 5/20 0.41
FDPS P14324 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
SCHEMBL7205037 1.00 LSS (0.61) LSSACHEFDPS
SCHEMBL7204637 0.98 LSS (0.61) LSSACHEFDPS
SCHEMBL7204635 0.98 LSS (0.61) LSSACHEFDPS
SCHEMBL7205879 0.97 LSS (0.60) LSSACHE
SCHEMBL7205883 0.97 LSS (0.60) LSSACHE
SCHEMBL7206630 0.97 LSS (0.60) LSSACHE
SCHEMBL7212254 0.97 LSS (0.60) LSSACHE
SCHEMBL4807939 0.91 LSS (0.57) LSSACHEFDPS
SCHEMBL4807949 0.91 LSS (0.57) LSSACHEFDPS
SCHEMBL7207582 0.90 LSS (0.49) 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