SCHEMBL16488459

SCHEMBL16488459

CCOC(=O)C(CC1C=C1)c1ccc(N)c(OCC2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.38
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HTR4 Q13639 4/20 0.37
PTGER4 P35408 1/20 0.35
LGMN Q99538 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR1D P28221 1/20 0.34
ADRA1B P35368 1/20 0.34
HTR2B P41595 1/20 0.34
HTR3A P46098 1/20 0.34
FFAR1 O14842 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL3659745 0.92 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DHTR4
SCHEMBL3658688 0.86 CNR2 (0.39) PDE4BPDE4APDE4CPDE4DHTR4
SCHEMBL15494231 0.80 HTR4 (0.46) PDE4BPDE4APDE4CPDE4DHTR4
SCHEMBL1202625 0.80 AKR1C3 (0.45) PDE4BPDE4APDE4CPDE4DHTR4
SCHEMBL3657313 0.80 ALDH1A1 (0.38) HTR4PTGER4
SCHEMBL3659265 0.79 CNR2 (0.40) PDE4BPDE4APDE4CPDE4DHTR4
SCHEMBL15111261 0.78 PDE4B (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL10301280 0.77 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DFFAR1
SCHEMBL27799283 0.77 PDE4B (0.36) PDE4BPDE4APDE4CPDE4DHTR4
SCHEMBL3655329 0.75 PDE4B (0.42) PDE4BPDE4APDE4CPDE4D

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
EP-2234954-B1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS INC (US) 2015-02-18 EP disclosed