SCHEMBL5753919

SCHEMBL5753919

COc1ccc([C](c2cccnc2)C2CCNCC2)nc1OCC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.39
CHUK O15111 1/20 0.39
CNR2 P34972 3/20 0.39
FFAR4 Q5NUL3 2/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
ROCK2 O75116 1/20 0.36
MELK Q14680 1/20 0.36
KDM1A O60341 1/20 0.36
CYP1A1 P04798 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP1B1 Q16678 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 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
SCHEMBL2906304 0.72 IKBKB (0.36) IKBKBCHUKFFAR4HTR1ASLC6A2
SCHEMBL2906305 0.72 CHRM2 (0.39) IKBKBCHUKFFAR4SLC6A2SLC6A4
SCHEMBL2908377 0.66 LTC4S (0.42) FFAR4CYP3A4PDE4APDE4BPDE4C
SCHEMBL30350527 0.64 FFAR4 (0.43) CNR2FFAR4PDE4APDE4BPDE4C
SCHEMBL2909751 0.64 FFAR4 (0.43) CNR2FFAR4PDE4APDE4BPDE4C
SCHEMBL2240323 0.64 CHRNB2 (0.66) IKBKBCHUKSLC6A2SLC6A4KDM1A
SCHEMBL2933257 0.62 CHRM2 (0.38) FFAR4PDE4APDE4BPDE4CPDE4D
SCHEMBL4670846 0.62 SLC18A3 (0.52) CYP2D6SMN1; SMN2CHRNB4CHRNA3
SCHEMBL6606787 0.62 PDE4D (0.42) CNR2FFAR4PDE4APDE4BPDE4C
SCHEMBL6606783 0.62 PDE4D (0.42) CNR2FFAR4PDE4APDE4BPDE4C

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-1692109-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS Memory Pharmaceuticals Corporation (US) 2006-08-23 EP disclosed
WO-2005061458-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-07 WO disclosed