SCHEMBL7699545

SCHEMBL7699545

COc1ccc(N2Cc3ccc(CN4Cc5cnc(CO)cc5C4=O)cc3C2=O)cc1OC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.42
HTR2A P28223 2/20 0.42
PDE4A P27815 10/20 0.40
PDE4B Q07343 9/20 0.40
PDE4C Q08493 8/20 0.40
PDE4D Q08499 8/20 0.40
HTR2B P41595 1/20 0.39
MCHR1 Q99705 2/20 0.37

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
SCHEMBL7692634 0.90 PDE4B (0.45) HTR2CHTR2APDE4APDE4BPDE4C
SCHEMBL7693683 0.88 PDE4A (0.45) HTR2CHTR2APDE4APDE4BPDE4C
SCHEMBL7700521 0.88 PDE4A (0.42) HTR2CHTR2APDE4APDE4BPDE4C
SCHEMBL7700449 0.86 PDE4D (0.43) HTR2CHTR2APDE4APDE4BPDE4C
SCHEMBL7701694 0.84 PDE4A (0.44) HTR2CHTR2APDE4APDE4BPDE4C
SCHEMBL7693887 0.84 HTR2C (0.49) HTR2CHTR2APDE4APDE4BPDE4C
SCHEMBL8711342 0.83 HTR2C (0.50) HTR2CHTR2APDE4APDE4BPDE4C
SCHEMBL7697143 0.81 PDE4A (0.38) HTR2CHTR2APDE4APDE4BPDE4C
SCHEMBL7697259 0.80 PDE4B (0.43) HTR2CHTR2APDE4APDE4BPDE4C
SCHEMBL8710723 0.79 HTR2C (0.47) HTR2CHTR2APDE4APDE4BPDE4C

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