SCHEMBL9490261

SCHEMBL9490261

ONC1CCc2c(Oc3ccccc3)cccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.48
MAOA P21397 6/20 0.48
HTR1A P08908 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM1A O60341 2/20 0.42
KDM4C Q9H3R0 1/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
ACHE P22303 2/20 0.40
BCHE P06276 1/20 0.38

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
SCHEMBL9487699 0.92 KDM4C (0.47) MAOBMAOAHTR1ASLC6A2SLC6A4
SCHEMBL9492025 0.81 SLC6A2 (0.46) MAOBMAOAHTR1ASLC6A2SLC6A4
SCHEMBL13518494 0.80 HTR1A (0.46) MAOBMAOAHTR1ASLC6A2SLC6A4
SCHEMBL9933801 0.80 HTR1A (0.46) MAOBMAOAHTR1ASLC6A2SLC6A4
SCHEMBL9487706 0.79 MAOB (0.68) MAOBMAOAHTR1ASLC6A2SLC6A4
SCHEMBL9487675 0.77 HTR1A (0.45) HTR1ASLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL11125707 0.77 KDM4C (0.44) HTR1ASLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL9487513 0.73 HRH3 (0.44) KDM4CPKM
SCHEMBL9488590 0.71 MAOB (0.59) MAOBMAOAHTR1ASLC6A2SLC6A4
SCHEMBL9164474 0.71 FFAR1 (0.40) MAOBMAOAHTR1ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP claimed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO claimed
EP-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP disclosed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO disclosed