SCHEMBL6853438

SCHEMBL6853438

COc1cc(C(=O)NC2CCCc3ccccc32)ccc1-n1cnc(C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.58
PDE4B Q07343 1/20 0.58
PDE4C Q08493 1/20 0.58
PDE4D Q08499 1/20 0.58
POLB P06746 1/20 0.57
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.56
TAS1R3 Q7RTX0 2/20 0.55
TAS1R1 Q7RTX1 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 1/20 0.54
PSEN1 P49768 2/20 0.54
PSEN2 P49810 2/20 0.54
APH1B Q8WW43 2/20 0.54
NCSTN Q92542 2/20 0.54
APH1A Q96BI3 2/20 0.54
PSENEN Q9NZ42 2/20 0.54
ROCK2 O75116 1/20 0.54
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL761019 0.87 PSEN1 (0.50) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL758318 0.84 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL757612 0.83 PSEN1 (0.57) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL1239308 0.82 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL1239307 0.82 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL1239305 0.82 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL12993297 0.82 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL760378 0.82 PSEN1 (0.57) PDE4APDE4BPDE4CPDE4DPSEN1
SCHEMBL12739133 0.81 PSEN1 (0.59) KMT2AMEN1LMNAPSEN1PSEN2
SCHEMBL5923942 0.79 TAS1R3 (0.74) PDE4APDE4BPDE4CPDE4DPOLB

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-2011059048-A1 NOVEL AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-05-19 WO disclosed