SCHEMBL7203840

SCHEMBL7203840

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.47
MGLL Q99685 1/20 0.43
ACHE P22303 2/20 0.38
NPC1 O15118 1/20 0.37
CASP1 P29466 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7210770 0.88 LSS (0.50) LSSACHE
SCHEMBL7210766 0.88 LSS (0.50) LSSACHE
SCHEMBL4802764 0.88 LSS (0.57) LSS
SCHEMBL7204635 0.87 LSS (0.61) LSSACHE
SCHEMBL7204637 0.87 LSS (0.61) LSSACHE
SCHEMBL7210637 0.87 LSS (0.48) LSSACHE
SCHEMBL7210633 0.87 LSS (0.48) LSSACHE
SCHEMBL7212254 0.86 LSS (0.60) LSSACHE
SCHEMBL7206630 0.86 LSS (0.60) LSSACHE
SCHEMBL7205863 0.86 LSS (0.49) LSSACHESMN1; SMN2

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