SCHEMBL20569359

SCHEMBL20569359

NC(CO)C(=O)N1CCc2cc(C#Cc3ccccc3)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.53
DPP8 Q6V1X1 3/20 0.49
DPP7 Q9UHL4 1/20 0.49
NLN Q9BYT8 1/20 0.44
ACACB O00763 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HCRTR2 O43614 1/20 0.42
ACE P12821 1/20 0.42
TMPRSS2 O15393 2/20 0.41
GRM5 P41594 1/20 0.41

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
SCHEMBL20569358 1.00 HDAC8 (0.53) HDAC8DPP8DPP7NLNACACB
Hydrochloric Acid SCHEMBL20569236 0.89 HDAC8 (0.48) HDAC8DPP8DPP7NLNACACB
Hydrochloric Acid SCHEMBL20569235 0.89 HDAC8 (0.48) HDAC8DPP8DPP7NLNACACB
Hydrochloric Acid SCHEMBL20569172 0.85 HDAC8 (0.43) HDAC8DPP8DPP7ALDH1A1TSHR
Hydrochloric Acid SCHEMBL20569169 0.85 HDAC8 (0.43) HDAC8DPP8DPP7ALDH1A1TSHR
SCHEMBL20569239 0.81 HDAC8 (0.60) HDAC8DPP8DPP7NLNHCRTR2
SCHEMBL20569237 0.81 HDAC8 (0.60) HDAC8DPP8DPP7NLNHCRTR2
Hydrochloric Acid SCHEMBL20569044 0.77 HDAC8 (0.52) HDAC8DPP8DPP7NLNHCRTR2
Hydrochloric Acid SCHEMBL20569041 0.77 HDAC8 (0.52) HDAC8DPP8DPP7NLNHCRTR2
SCHEMBL8215788 0.77 ACACB (0.42) HDAC8ACACBKDM4EALDH1A1TSHR

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