SCHEMBL6601775

SCHEMBL6601775

O=C1CCC(=O)NCCc2cccc(c2)OCCCCN1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.47
JAK1 P23458 4/20 0.47
TYK2 P29597 4/20 0.47
JAK3 P52333 4/20 0.47
ALK Q9UM73 2/20 0.43
GLS O94925 13/20 0.43
ITGB1 P05556 3/20 0.39
ITGA2 P17301 3/20 0.39

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
SCHEMBL4651945 0.76 BACE1 (0.53) JAK2JAK1TYK2JAK3ALK
SCHEMBL4651177 0.75 JAK2 (0.45) JAK2JAK1TYK2JAK3ALK
SCHEMBL29925758 0.71 GSK3B (0.46)
SCHEMBL27031908 0.71 GSK3B (0.46)
SCHEMBL3294238 0.70
SCHEMBL6614928 0.70 GLS (0.39) GLSITGB1ITGA2
SCHEMBL14084714 0.66 CCNC (0.40) GLSITGB1ITGA2
SCHEMBL4534502 0.66 GLS (0.42) JAK2JAK1TYK2JAK3ALK
SCHEMBL7252376 0.66 CRBN (0.67)
SCHEMBL4530284 0.65 GLS (0.41) JAK2JAK1TYK2JAK3ALK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395257-A1 MACROCYCLES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-10 EP disclosed