SCHEMBL8711752

SCHEMBL8711752

COc1ccc(N2Cc3ccc(CN(O)C(N)=O)cc3C2=O)cc1OC(C)CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.47
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
HTR2C P28335 4/20 0.41
HTR2A P28223 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PIK3CG P48736 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
THRB P10828 1/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 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
SCHEMBL7696591 0.87 MCHR1 (0.49) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL7698181 0.87 MCHR1 (0.49) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL8715473 0.86 MCHR1 (0.48) MCHR1HTR2CHTR2APIK3CGSMN1; SMN2
SCHEMBL7701165 0.83 HTR2C (0.56) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL8707874 0.82 MCHR1 (0.45) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL7699175 0.82 MCHR1 (0.45) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL7695024 0.81 MCHR1 (0.46) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL8713921 0.81 MCHR1 (0.46) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL8707494 0.81 MCHR1 (0.46) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL7695681 0.81 PDE4A (0.42) MCHR1PDE4APDE4BPDE4CPDE4D

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-1998042666-A1 NOVEL 3,4-DIALKOXYPHENYL DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1998-10-01 WO disclosed