SCHEMBL6525480

SCHEMBL6525480

O=c1cc(OCc2ccc(F)cc2F)ccn1Cl

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.49
MCHR1 Q99705 10/20 0.47
GSK3B P49841 2/20 0.45
BACE1 P56817 2/20 0.45
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
MAPK14 Q16539 2/20 0.43
ALKBH1 Q13686 1/20 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
SCHEMBL4376628 0.82 MAPK14 (0.50) MAOBMCHR1GSK3BBACE1MAPK14
SCHEMBL6526149 0.78 MAOB (0.53) MAOBGSK3BBACE1MAPK14
SCHEMBL4381779 0.76 MAPK14 (0.65) MAOBMCHR1MAPK14
SCHEMBL4382507 0.75 MCHR1 (0.55) MCHR1MAPK14
SCHEMBL4375944 0.73 MAOB (0.53) MAOBMCHR1MAPK14
SCHEMBL94520 0.71 NSD2 (0.54) MAOBMCHR1GSK3BBACE1IDO1
SCHEMBL4375940 0.71 MCHR1 (0.53) MAOBMCHR1
SCHEMBL4376955 0.71 MAPK14 (0.56) MAOBGSK3BBACE1MAPK14
SCHEMBL13450401 0.71 MAOB (0.60) MAOBGSK3BBACE1IDO1AGXT
SCHEMBL4381266 0.69 MAPK14 (0.65) MAOBMAPK14

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