SCHEMBL6533890

SCHEMBL6533890

O=c1ccccn1-c1ccc2c(c1)CNCC2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.52
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
PNMT P11086 8/20 0.47
CD44 P16070 1/20 0.47
MAOB P27338 1/20 0.47
ADRA2A P08913 3/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
PARP3 Q9Y6F1 1/20 0.45

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
SCHEMBL26684155 0.79 HTR6 (0.49) HTR6PNMTADRA2AADRA2BADRA2C
SCHEMBL1997957 0.78 CYP11B2 (0.44) SLC6A2SLC6A4SLC6A3PARP1
SCHEMBL24405379 0.75 HTR6 (0.48) HTR6PNMTCD44MAOBADRA2A
SCHEMBL31152023 0.75 PNMT (0.44) HTR6PNMTCD44MAOBADRA2A
SCHEMBL22144445 0.73 DDB1 (0.46) HTR6PNMTCD44MAOBADRA2A
SCHEMBL20929543 0.71 HTR6 (0.55) HTR6SLC6A2SLC6A4SLC6A3PNMT
Hydrochloric Acid SCHEMBL20703982 0.70 HTR6 (0.46) HTR6PNMTCD44MAOBPARP1
Hydrochloric Acid SCHEMBL30561540 0.70 HTR6 (0.46) HTR6PNMTCD44MAOBPARP1
SCHEMBL30450133 0.70 DDB1 (0.53) HTR6PNMTADRA2AADRA2BADRA2C
SCHEMBL26684149 0.70 DDB1 (0.53) HTR6PNMTADRA2AADRA2BADRA2C

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-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed