SCHEMBL13565477

SCHEMBL13565477

CC(C)(C)S(=O)(=O)NCCCCCNc1cccc(OC2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
MEF2D Q14814 2/20 0.41
MTNR1A P48039 1/20 0.39
KAT6A Q92794 2/20 0.38
EPHX2 P34913 1/20 0.38
DUT P33316 4/20 0.38
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
KLKB1 P03952 1/20 0.37
PRSS1 P07477 1/20 0.37
CNR2 P34972 1/20 0.37
RAB9A P51151 2/20 0.37
GRM2 Q14416 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL13565836 0.99 HDAC4 (0.41) HDAC4MEF2DMTNR1AKAT6AEPHX2
SCHEMBL13565527 0.87 CTSL (0.38) MTNR1AEPHX2CNR2GRM2ALDH1A1
SCHEMBL11935682 0.85 ACACB (0.38) MTNR1ACNR2ALDH1A1LMNAMAPT
SCHEMBL13565964 0.85 HDAC4 (0.41) HDAC4MEF2DMTNR1ADUTF2
SCHEMBL10115175 0.85 MEN1 (0.46) HDAC4MEF2DMTNR1AF2PLG
SCHEMBL13565272 0.84 GRIA1 (0.41) HDAC4MEF2DMTNR1AKAT6ADUT
SCHEMBL10115278 0.84 ALDH1A1 (0.45) HDAC4MEF2DF2PLGPLAU
SCHEMBL13565791 0.82 DUT (0.42) MTNR1AKAT6ADUTCNR2
SCHEMBL13565878 0.81 HRH3 (0.37) MTNR1AEPHX2DUTCNR2ALDH1A1
SCHEMBL13565261 0.80 CNR2 (0.40) EPHX2CNR2ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed