SCHEMBL6447864

SCHEMBL6447864

NC(=O)c1ccc(F)c(F)c1OC1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
MAP3K5 Q99683 1/20 0.45
HTR1A P08908 5/20 0.43
SLC6A2 P23975 5/20 0.43
SLC6A3 Q01959 2/20 0.43
PARP1 P09874 4/20 0.41
SLC6A4 P31645 2/20 0.40
PARP2 Q9UGN5 2/20 0.38
PARP3 Q9Y6F1 1/20 0.38
HRH1 P35367 1/20 0.37
CHEK2 O96017 1/20 0.37
IP6K1 Q92551 1/20 0.36
PARP10 Q53GL7 2/20 0.36
PARP15 Q460N3 1/20 0.36

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
SCHEMBL6450115 0.89 MAP3K5 (0.47) MKNK1MKNK2MAP3K5HTR1ASLC6A2
SCHEMBL5400478 0.87 PARP10 (0.43) MKNK1MKNK2HTR1AIP6K1PARP10
SCHEMBL5384472 0.87 PARP10 (0.46) MKNK1MKNK2HTR1AIP6K1PARP10
SCHEMBL6447882 0.83 HTR1A (0.56) MKNK1MKNK2MAP3K5HTR1ASLC6A2
SCHEMBL3123273 0.80 SLC6A2 (0.56) HTR1ASLC6A2SLC6A3SLC6A4HRH1
SCHEMBL28571503 0.78 MKNK1 (0.46) MKNK1MKNK2MAP3K5HTR1ASLC6A2
SCHEMBL6456150 0.76 MKNK1 (0.58) MKNK1MKNK2MAP3K5HTR1ASLC6A2
SCHEMBL6454967 0.73 MKNK1 (0.49) MKNK1MKNK2MAP3K5HTR1ASLC6A2
SCHEMBL6451281 0.73 MKNK1 (0.58) MKNK1MKNK2MAP3K5SLC6A4HRH1
SCHEMBL15566704 0.73 MAP3K5 (0.54) MKNK1MKNK2MAP3K5HRH1

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
US-6964974-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-11-15 US disclosed