SCHEMBL8286591

SCHEMBL8286591

COc1ccc(N(Cc2cccnc2)C2CCCNC2)nc1C[C@@H]1CCOC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
SLC6A4 P31645 3/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP2D6 P10635 1/20 0.35
CTSL P07711 1/20 0.34
EED O75530 1/20 0.34
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
PTAFR P25105 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL8284774 0.90 SLC6A4 (0.35) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL8284814 0.90 CTSL (0.41) CTSLPDE4APDE4BPDE4CPDE4D
SCHEMBL2908516 0.85 CHRNB2 (0.40) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL8284044 0.82 KMT2A (0.40) CHRNB2CHRNA4CTSLPDE4APDE4B
SCHEMBL8285836 0.81 GPBAR1 (0.38) CHRNB2CHRNA4CTSLTP53MAPT
SCHEMBL8284052 0.80 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL8286587 0.80 L3MBTL1 (0.42) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL8284045 0.79 KMT2A (0.41) PDE4APDE4BPDE4CPDE4DGPBAR1
SCHEMBL2909468 0.78 PDE4A (0.45) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL8284049 0.77 PTGER2 (0.38) PDE4APDE4BPDE4CPDE4DTP53

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-2005061458-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-07 WO disclosed