SCHEMBL31932

SCHEMBL31932

COc1ccc(CN2CC(=O)NC2=O)cc1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
LIPG Q9Y5X9 1/20 0.43
PPARA Q07869 8/20 0.42
PPARD Q03181 4/20 0.42
PPARG P37231 3/20 0.40
DRD2 P14416 2/20 0.40
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39
SLC5A7 Q9GZV3 1/20 0.39
CTSB P07858 1/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL31970 0.92 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DLIPG
SCHEMBL31929 0.91 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DLIPG
SCHEMBL31948 0.82 PPARA (0.58) LIPGPPARAPPARDPPARGALDH1A1
SCHEMBL31881 0.81 PTGER4 (0.51) PPARAPPARDPPARG
SCHEMBL31944 0.80 PPARA (0.47) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL31947 0.75 LMNA (0.44) ALDH1A1TSHR
SCHEMBL31703 0.73 MRGPRX4 (0.47) ALDH1A1
SCHEMBL31880 0.70 PPARD (0.54) LIPGPPARAPPARDPPARG
SCHEMBL31942 0.69 PTGER4 (0.47) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL12636581 0.69 PPARA (0.45) PPARAPPARDPPARGTSHR

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-2012026495-A1 NOVEL HYDANTOIN DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2012-03-01 WO disclosed