SCHEMBL8707491

SCHEMBL8707491

COc1ccc(N2C(=O)c3ncccc3C2C)cc1OCC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.49
HTR2B P41595 1/20 0.49
PDE4B Q07343 15/20 0.42
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL8711328 0.86 HTR2C (0.48) HTR2CHTR2BPDE4B
SCHEMBL8714432 0.85 HTR2C (0.49) HTR2CHTR2BPDE4BPDE4APDE4C
SCHEMBL8713416 0.82 HTR2C (0.42) HTR2CHTR2BPDE4BPDE4APDE4C
SCHEMBL8712205 0.82 HTR2C (0.42) HTR2CHTR2BPDE4BPDE4APDE4C
SCHEMBL8712925 0.77 PDE4B (0.44) HTR2CHTR2BPDE4BPDE4APDE4C
SCHEMBL8712036 0.76 RAB9A (0.54) HTR2CPDE4BPDE4APDE4CPDE4D
SCHEMBL8713070 0.75 PDE4B (0.43) HTR2CHTR2BPDE4BPDE4APDE4C
SCHEMBL7696958 0.70 PDE4B (0.49) HTR2CHTR2BPDE4BPDE4APDE4C
SCHEMBL8707085 0.69 NR1H3 (0.46) HTR2CPDE4BPDE4APDE4CPDE4D
SCHEMBL8711866 0.69 HTR2C (0.53) HTR2CHTR2BPDE4BPDE4APDE4C

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