SCHEMBL6163210

SCHEMBL6163210

Cn1cc(C(=O)Nc2ccc(Cl)cc2)c(=O)c2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.76
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
S1PR1 P21453 7/20 0.59
S1PR3 Q99500 7/20 0.59
LMNA P02545 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CNR2 P34972 1/20 0.51

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
SCHEMBL22416125 0.90 MAOB (0.77) MAOBNPC1RAB9AS1PR1S1PR3
SCHEMBL398187 0.89 MAOB (0.75) MAOBNPC1RAB9AS1PR1S1PR3
SCHEMBL4510662 0.80 LMNA (0.65) MAOBNPC1RAB9AS1PR1S1PR3
SCHEMBL10341234 0.79 KDM4E (0.72) MAOBNPC1RAB9AS1PR1S1PR3
SCHEMBL6005094 0.79 MAOB (0.61) MAOBNPC1LMNAKMT2AMAPT
SCHEMBL28689795 0.79 MAPT (0.62) MAOBNPC1RAB9ALMNAMEN1
SCHEMBL28689792 0.79 MAPT (0.62) MAOBNPC1RAB9ALMNAMEN1
SCHEMBL30263098 0.79 MAPT (0.62) MAOBNPC1RAB9ALMNAMEN1
SCHEMBL24254462 0.78 LMNA (0.71) MAOBNPC1RAB9AS1PR1S1PR3
SCHEMBL30542058 0.78 LMNA (0.71) MAOBNPC1RAB9AS1PR1S1PR3

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
EP-1056724-B1 SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-05-25 EP disclosed