SCHEMBL8711342

SCHEMBL8711342

COc1ccc(N2Cc3ccc(CO)cc3C2=O)cc1OC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.50
HTR2A P28223 2/20 0.48
HTR2B P41595 1/20 0.44
PDE4B Q07343 13/20 0.43
PDE4A P27815 9/20 0.43
PDE4C Q08493 9/20 0.43
PDE4D Q08499 9/20 0.43
MCHR1 Q99705 1/20 0.42

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
SCHEMBL7693887 0.99 HTR2C (0.49) HTR2CHTR2AHTR2BPDE4BPDE4A
SCHEMBL7692634 0.93 PDE4B (0.45) HTR2CHTR2AHTR2BPDE4BPDE4A
SCHEMBL8707745 0.90 HTR2C (0.49) HTR2CHTR2AHTR2BPDE4BPDE4A
SCHEMBL8708720 0.90 HTR2C (0.50) HTR2CHTR2AHTR2BPDE4BPDE4A
SCHEMBL8710723 0.89 HTR2C (0.47) HTR2CHTR2AHTR2BPDE4BPDE4A
SCHEMBL7695513 0.89 HTR2C (0.49) HTR2CHTR2AHTR2BPDE4BPDE4A
SCHEMBL8708038 0.88 HTR2C (0.53) HTR2CHTR2AHTR2BMCHR1
SCHEMBL8710736 0.88 HTR2C (0.47) HTR2CHTR2AHTR2BPDE4BMCHR1
SCHEMBL7700899 0.87 PDE4B (0.47) HTR2CHTR2AHTR2BPDE4BPDE4A
SCHEMBL8707714 0.87 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
WO-1998042666-A1 NOVEL 3,4-DIALKOXYPHENYL DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1998-10-01 WO disclosed