SCHEMBL6614928

SCHEMBL6614928

O=C1CCCCOc2ccc(cc2)CCNC(=O)CN1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLS O94925 8/20 0.39
CRBN Q96SW2 2/20 0.39
FKBP5 Q13451 1/20 0.39
OR51E2 Q9H255 1/20 0.36
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
ITGB1 P05556 2/20 0.32
ITGA2 P17301 2/20 0.32
RYR1 P21817 4/20 0.32
FKBP1A P62942 3/20 0.32

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
SCHEMBL21067920 0.74 CTSD (0.47)
SCHEMBL6601775 0.70 JAK2 (0.47) GLSITGB1ITGA2
SCHEMBL28729362 0.67 CRBN (0.76) CRBNFKBP5OR51E2
SCHEMBL21473988 0.67 OR51E2 (0.79) CRBNFKBP5OR51E2
SCHEMBL16431244 0.67 OR51E2 (0.79) CRBNFKBP5OR51E2
SCHEMBL575814 0.67 CRBN (0.65) CRBNFKBP5OR51E2
SCHEMBL27172945 0.67 CRBN (0.65) CRBNFKBP5OR51E2
SCHEMBL1185759 0.67
SCHEMBL7252376 0.67 CRBN (0.67) CRBNFKBP5OR51E2CA1CA9
SCHEMBL13171775 0.66 GLS (0.37) GLSCA1CA9ITGB1ITGA2

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-1404671-A1 MACROCYCLES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-04-07 EP disclosed
WO-2002100856-A1 MACROCYCLES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed