SCHEMBL6331024

SCHEMBL6331024

Cc1cn(S(=O)(=O)c2ccc3c(c2)CNCC3(C)C)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.52
FABP4 P15090 2/20 0.41
KDM4E B2RXH2 1/20 0.40
UBE2N P61088 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALK Q9UM73 1/20 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
SCHEMBL6330560 0.85 HTR6 (0.58) HTR6
SCHEMBL6330390 0.81 HTR6 (0.65) HTR6
SCHEMBL6404989 0.78 HTR6 (0.54) HTR6
SCHEMBL6332940 0.72 HTR6 (0.51) HTR6
SCHEMBL6328502 0.71 HTR6 (0.40) HTR6
SCHEMBL3615171 0.71 HTR6 (0.78) HTR6FABP4KDM4EUBE2NL3MBTL1
SCHEMBL1172350 0.70 HTR6 (0.77) HTR6FABP4KDM4EUBE2NL3MBTL1
SCHEMBL31211647 0.70 HTR6 (0.77) HTR6FABP4KDM4EUBE2NL3MBTL1
SCHEMBL6338134 0.70 HTR6 (0.55) HTR6FABP4KDM4EL3MBTL1
SCHEMBL14642142 0.69 HTR6 (1.00) HTR6FABP4KDM4EUBE2NL3MBTL1

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-6849644-B2 Isoquinoline derivatives useful in the treatment of CNS disorders SMITHKLINE BEECHAM P.L.C. (GB) 2005-02-01 US claimed