SCHEMBL7205131

SCHEMBL7205131

CCCCCN(C)CCCCCC1CCC(N(C)C(=O)Oc2ccc(Br)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LSS P48449 16/20 0.61
ACHE P22303 2/20 0.44
MGLL Q99685 1/20 0.42
FPR3 P25089 1/20 0.38
FPR2 P25090 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
SCHEMBL7205134 1.00 LSS (0.61) LSSACHEMGLLFPR3FPR2
SCHEMBL7210998 0.99 LSS (0.60) LSSACHEMGLL
SCHEMBL7210999 0.99 LSS (0.60) LSSACHEMGLL
SCHEMBL4797244 0.95 LSS (0.60) LSSACHE
SCHEMBL4797247 0.95 LSS (0.60) LSSACHE
SCHEMBL7204037 0.90 LSS (0.74) LSSACHE
SCHEMBL7206527 0.90 LSS (0.74) LSSACHE
SCHEMBL7211557 0.89 LSS (0.77) LSSACHE
SCHEMBL7203223 0.89 LSS (0.77) LSSACHE
SCHEMBL7210419 0.89 LSS (0.77) 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 4 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 claimed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO claimed
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