SCHEMBL7700767

SCHEMBL7700767

COc1ccc(N2Cc3ccc(CN4Cc5cnc(C(=O)O)cc5C4=O)cc3C2=O)cc1OC(C)CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.42
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
HTR2C P28335 3/20 0.38
HTR2A P28223 1/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC4 P56524 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
PIK3CG P48736 2/20 0.35
MAP3K5 Q99683 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
HDAC7 Q8WUI4 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
SCHEMBL7699082 0.91 MCHR1 (0.43) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL7700309 0.91 MCHR1 (0.44) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL7693775 0.91 MCHR1 (0.44) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL7694128 0.90 MCHR1 (0.42) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL7696526 0.90 MCHR1 (0.41) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL7699175 0.88 MCHR1 (0.45) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL7701516 0.88 MCHR1 (0.42) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL7700748 0.86 MCHR1 (0.44) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL7700852 0.85 PDE4A (0.43) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL7695681 0.85 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-2002081446-A1 3-CYCLOPENTYLOXY-4-METHOXYPHENYL-ISOINDOLINONE DERIVATIVES AND THE USE THEREOF DAEWOONG CO., LTD. (KR) 2002-10-17 WO disclosed