SCHEMBL20569239

SCHEMBL20569239

NC(CO)C(=O)N1CCc2cc(CCc3ccccc3)ccc2C1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.60
DPP8 Q6V1X1 2/20 0.50
DPP7 Q9UHL4 1/20 0.50
HCRTR2 O43614 1/20 0.45
NLN Q9BYT8 1/20 0.45
NAMPT P43490 2/20 0.45
KMT2A Q03164 1/20 0.45
TMPRSS2 O15393 1/20 0.44

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
SCHEMBL20569237 1.00 HDAC8 (0.60) HDAC8DPP8DPP7HCRTR2NLN
SCHEMBL20569359 0.81 HDAC8 (0.53) HDAC8DPP8DPP7HCRTR2NLN
SCHEMBL20569358 0.81 HDAC8 (0.53) HDAC8DPP8DPP7HCRTR2NLN
Hydrochloric Acid SCHEMBL20569597 0.80 HDAC8 (0.47) HDAC8DPP8DPP7NLN
SCHEMBL4952073 0.79 HDAC8 (0.74) HDAC8DPP8DPP7NLNKMT2A
Hydrochloric Acid SCHEMBL20569044 0.78 HDAC8 (0.52) HDAC8DPP8DPP7HCRTR2NLN
Hydrochloric Acid SCHEMBL20569041 0.78 HDAC8 (0.52) HDAC8DPP8DPP7HCRTR2NLN
Hydrochloric Acid SCHEMBL20569235 0.76 HDAC8 (0.48) HDAC8DPP8DPP7HCRTR2NLN
Hydrochloric Acid SCHEMBL20569236 0.76 HDAC8 (0.48) HDAC8DPP8DPP7HCRTR2NLN
SCHEMBL1358772 0.76 HDAC8 (0.97) HDAC8DPP8DPP7NLNKMT2A

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-2018216823-A1 ALPHA-AMINO AMIDE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-29 WO disclosed