SCHEMBL7698109

SCHEMBL7698109

COc1ccc(N2Cc3cnccc3C2=O)cc1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.46
PDE4A P27815 8/20 0.46
PDE4B Q07343 7/20 0.46
PDE4C Q08493 5/20 0.46
HTR2C P28335 3/20 0.46
CTSD P07339 1/20 0.43
BACE1 P56817 1/20 0.43
BACE2 Q9Y5Z0 1/20 0.43

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
SCHEMBL8713389 0.99 HTR2C (0.47) PDE4DPDE4APDE4BPDE4CHTR2C
Hydrochloric Acid SCHEMBL8710356 0.98 HTR2C (0.46) PDE4DPDE4APDE4BPDE4CHTR2C
SCHEMBL8714617 0.91 HTR2C (0.47) PDE4DPDE4APDE4BPDE4CHTR2C
SCHEMBL8708977 0.89 HTR2C (0.49) HTR2C
SCHEMBL8711334 0.88 HTR2C (0.41) PDE4DPDE4APDE4BPDE4CHTR2C
SCHEMBL7700449 0.88 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CHTR2C
SCHEMBL8711289 0.87 PDE4A (0.46) PDE4DPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL8710772 0.86 PDE4A (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL7694316 0.84 HTR2C (0.61) PDE4DPDE4APDE4BPDE4CHTR2C
SCHEMBL8707421 0.83 HTR2C (0.46) PDE4DPDE4APDE4BPDE4CHTR2C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002081447-A1 3-CYCLOPENTYLOXY-4-METHOXYPHENYL-ISOTHIAZOLINONE DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2002-10-17 WO disclosed
WO-2002081446-A1 3-CYCLOPENTYLOXY-4-METHOXYPHENYL-ISOINDOLINONE DERIVATIVES AND THE USE THEREOF DAEWOONG CO., LTD. (KR) 2002-10-17 WO disclosed
WO-1998042666-A1 NOVEL 3,4-DIALKOXYPHENYL DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1998-10-01 WO disclosed