SCHEMBL5317065

SCHEMBL5317065

CCN1CCC(N(CC)C(=O)c2ccc3c(c2)nc(C2CCCC2)n3CC(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.47
JAK1 P23458 8/20 0.47
TYK2 P29597 8/20 0.47
JAK3 P52333 8/20 0.47
ITK Q08881 2/20 0.46
CNR2 P34972 7/20 0.41
HRH3 Q9Y5N1 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 2/20 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
SCHEMBL5318313 0.91 ITK (0.47) JAK2JAK1TYK2JAK3ITK
SCHEMBL5315393 0.86 JAK2 (0.43) JAK2JAK1TYK2JAK3ITK
SCHEMBL5318212 0.81 JAK2 (0.49) JAK2JAK1TYK2JAK3ITK
SCHEMBL5318305 0.79 JAK2 (0.59) JAK2JAK1TYK2JAK3CNR2
SCHEMBL5317039 0.77 ITK (0.46) ITKCNR2HRH3CNR1
SCHEMBL5318329 0.76 ITK (0.51) ITKCNR2HRH3
SCHEMBL5318349 0.76 USP30 (0.45) JAK2JAK1TYK2JAK3ITK
SCHEMBL5315360 0.75 ITK (0.43) ITKCNR2CNR1
SCHEMBL5317545 0.73 ITK (0.44) ITKCNR2CNR1
SCHEMBL5318216 0.73 ITK (0.43) ITKCNR2ALDH1A1LMNAGAA

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
WO-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 WO disclosed