SCHEMBL6447882

SCHEMBL6447882

NC(=O)c1cccc(F)c1OC1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.56
SLC6A2 P23975 10/20 0.56
SLC6A3 Q01959 3/20 0.56
SLC6A4 P31645 3/20 0.52
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
PARP1 P09874 6/20 0.45
PARP2 Q9UGN5 1/20 0.45
MAP3K5 Q99683 1/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
NMT1 P30419 1/20 0.42

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 0.83 MAP3K5 (0.47) HTR1ASLC6A2SLC6A3SLC6A4MKNK1
SCHEMBL6447864 0.83 MKNK1 (0.46) HTR1ASLC6A2SLC6A3SLC6A4MKNK1
SCHEMBL29003883 0.82 SLC6A2 (0.71) HTR1ASLC6A2SLC6A3SLC6A4NMT1
SCHEMBL4233748 0.77 MKNK1 (0.58) HTR1ASLC6A2SLC6A3MKNK1MKNK2
SCHEMBL28571503 0.75 MKNK1 (0.46) HTR1ASLC6A2SLC6A4MKNK1MKNK2
SCHEMBL20563741 0.74 ALB (0.46) HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL6456150 0.73 MKNK1 (0.58) HTR1ASLC6A2SLC6A3MKNK1MKNK2
SCHEMBL6454967 0.73 MKNK1 (0.49) HTR1ASLC6A2SLC6A3MKNK1MKNK2
SCHEMBL5791812 0.72 ALB (0.45) HTR1ASLC6A2SLC6A3
SCHEMBL3123418 0.72 SLC6A2 (0.68) HTR1ASLC6A2SLC6A3SLC6A4

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