SCHEMBL4790426

SCHEMBL4790426

COC(C(N)=O)(c1ccccc1)c1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CES1 P23141 1/20 0.36
KCNN4 O15554 6/20 0.35
KCNH2 Q12809 2/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
PGR P06401 1/20 0.33
THRB P10828 1/20 0.33
ADRB3 P13945 1/20 0.33
OPRK1 P41145 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
PDE3A Q14432 1/20 0.33
SLC47A1 Q96FL8 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 2/20 0.33

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
SCHEMBL3905516 0.78 MAPT (0.55) MAPTKMT2ACES1KCNN4KCNH2
SCHEMBL7921071 0.72 AHR (0.41) MAPTKMT2ALMNAKDM4E
SCHEMBL9416066 0.72 KDM4E (0.43) MAPTKMT2ATDP1CYP2D6CHRM2
SCHEMBL666600 0.69 KMT2A (0.39) MAPTKMT2ACES1
SCHEMBL10693506 0.69 MAPT (0.52) MAPTKMT2ACES1KCNN4KCNH2
SCHEMBL8283636 0.69 MAPT (0.38) MAPTKMT2A
SCHEMBL28046683 0.68 KCNN4 (0.32) KMT2AKCNN4TSHR
SCHEMBL340836 0.68 KCNN4 (0.52) MAPTKMT2ACES1KCNN4ALOX15
SCHEMBL9292143 0.67 KCNN4 (0.48) MAPTKMT2ACES1KCNN4TSHR
SCHEMBL27529617 0.67 KMT2A (0.35) MAPTKMT2ACYP3A4ALOX15TSHR

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
EP-1966185-A2 2-AMINO-5-PIPERIDINYLIMIDAZOLONE COMPOUNDS AND USE THEREOF FOR ß-SECRETASE MODULATION Wyeth a Corporation of the State of Delaware (US) 2008-09-10 EP disclosed
WO-2007078813-A2 2-AMINO-5-PIPERIDINYLIMIDAZOLONE COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-07-12 WO disclosed