SCHEMBL7700852

SCHEMBL7700852

COc1ccc(N2Cc3ccc(CN4Cc5ccc(C(=N)N)cc5C4=O)cc3C2=O)cc1OC(C)CCc1ccccc1.COc1ccc(N2Cc3ccc(CN4Cc5ccc(C(=O)O)cc5C4=O)cc3C2=O)cc1OC(C)CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.43
PDE4B Q07343 4/20 0.43
PDE4C Q08493 4/20 0.43
PDE4D Q08499 4/20 0.43
MCHR1 Q99705 2/20 0.40
MAP3K5 Q99683 2/20 0.39
HTR2C P28335 3/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CG P48736 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER2 P43116 1/20 0.34
HTR2A P28223 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
SCHEMBL7695681 0.90 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMCHR1
SCHEMBL7699175 0.87 MCHR1 (0.45) PDE4APDE4BPDE4CPDE4DMCHR1
SCHEMBL7698759 0.87 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMCHR1
SCHEMBL7700748 0.85 MCHR1 (0.44) PDE4APDE4BPDE4CPDE4DMCHR1
SCHEMBL7700767 0.85 MCHR1 (0.42) PDE4APDE4BPDE4CPDE4DMCHR1
SCHEMBL7693775 0.84 MCHR1 (0.44) PDE4APDE4BPDE4CPDE4DMCHR1
SCHEMBL7699082 0.83 MCHR1 (0.43) PDE4APDE4BPDE4CPDE4DMCHR1
SCHEMBL7696526 0.83 MCHR1 (0.41) PDE4APDE4BPDE4CPDE4DMCHR1
SCHEMBL7700309 0.83 MCHR1 (0.44) PDE4APDE4BPDE4CPDE4DMCHR1
SCHEMBL7701516 0.83 MCHR1 (0.42) PDE4APDE4BPDE4CPDE4DMCHR1

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-2002081446-A1 3-CYCLOPENTYLOXY-4-METHOXYPHENYL-ISOINDOLINONE DERIVATIVES AND THE USE THEREOF DAEWOONG CO., LTD. (KR) 2002-10-17 WO disclosed