SCHEMBL8445677

SCHEMBL8445677

Bc1cnc2c(c1)c(-c1csc(C3CCN(C(=O)OC(C)(C)C)CC3)n1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.41
GPR119 Q8TDV5 6/20 0.40
FAAH O00519 9/20 0.39
USP30 Q70CQ3 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TGFBR1 P36897 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
SCHEMBL1798902 0.91 HTR6 (0.41) HTR6GPR119FAAHTGFBR1
SCHEMBL8174907 0.86 HTR6 (0.39) HTR6
SCHEMBL1801756 0.80 HTR6 (0.41) HTR6GPR119USP30TGFBR1
SCHEMBL8177018 0.80 CPT1A (0.41) HTR6USP30
SCHEMBL1800049 0.77 HTR6 (0.39) HTR6
SCHEMBL3346600 0.75 HTR6 (0.38) HTR6FAAHMAPT
SCHEMBL8478692 0.75 CDK5 (0.41) HTR6KDM4EMAPT
SCHEMBL8168890 0.75 HTR6 (0.40) HTR6FAAHMAPT
SCHEMBL14049072 0.74 HTR6 (0.40) HTR6
SCHEMBL13539079 0.74 BRD4 (0.37) HTR6MAPT

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-1749829-A1 JNK inhibitors Eisai London Research Laboratories Limited (GB) 2007-02-07 EP disclosed