SCHEMBL8713013

SCHEMBL8713013

COc1ccc(N2Cc3cc(N)ncc3C2=O)cc1OC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.46
HTR2A P28223 3/20 0.45
HTR2B P41595 3/20 0.45
PDE4A P27815 8/20 0.44
PDE4B Q07343 6/20 0.44
PDE4C Q08493 6/20 0.44
PDE4D Q08499 6/20 0.44
TRPC6 Q9Y210 2/20 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
SCHEMBL8707421 0.92 HTR2C (0.46) HTR2CHTR2AHTR2BPDE4APDE4B
SCHEMBL8708166 0.88 HTR2C (0.48) HTR2CHTR2AHTR2B
SCHEMBL8707868 0.87 HTR2C (0.43) HTR2CHTR2AHTR2BPDE4APDE4B
SCHEMBL8714617 0.84 HTR2C (0.47) HTR2CHTR2APDE4APDE4BPDE4C
SCHEMBL8713389 0.82 HTR2C (0.47) HTR2CPDE4APDE4BPDE4CPDE4D
SCHEMBL7700465 0.82 PDE4B (0.44) HTR2CHTR2AHTR2BPDE4APDE4B
Hydrochloric Acid SCHEMBL8710356 0.82 HTR2C (0.46) HTR2CPDE4APDE4BPDE4CPDE4D
SCHEMBL7698109 0.81 PDE4D (0.46) HTR2CPDE4APDE4BPDE4CPDE4D
SCHEMBL8711449 0.81 HTR2C (0.49) HTR2CHTR2AHTR2BPDE4APDE4B
SCHEMBL7694316 0.81 HTR2C (0.61) 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-1998042666-A1 NOVEL 3,4-DIALKOXYPHENYL DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1998-10-01 WO disclosed