SCHEMBL7204877

SCHEMBL7204877

CCCCCN(C)CC#CC1CCC(N(C)C(=O)Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.76
ACHE P22303 7/20 0.40
KCNH2 Q12809 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
SCHEMBL4804555 0.93 LSS (0.80) LSSACHE
SCHEMBL4804545 0.93 LSS (0.80) LSSACHE
SCHEMBL4428287 0.86 LSS (1.00) LSSACHE
SCHEMBL4428285 0.86 LSS (1.00) LSSACHE
SCHEMBL4805082 0.85 LSS (0.68) LSSACHE
SCHEMBL4805079 0.85 LSS (0.68) LSSACHE
SCHEMBL4804244 0.84 LSS (0.64) LSSACHE
SCHEMBL4797897 0.84 LSS (0.89) LSSACHE
SCHEMBL4804239 0.84 LSS (0.64) LSSACHE
SCHEMBL4797894 0.84 LSS (0.89) 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