SCHEMBL5048176

SCHEMBL5048176

NC(=O)ON1CCc2ccc(OCc3cccc(F)c3)cc2CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.54
PARP10 Q53GL7 1/20 0.54
MAOA P21397 12/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.50
GFER P55789 1/20 0.50
PAX8 Q06710 1/20 0.50
KLF5 Q13887 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
NR4A2 P43354 1/20 0.49

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
SCHEMBL5040828 0.87 MRGPRX4 (0.52) MAOBMAOANPC1RAB9ALMNA
SCHEMBL3504799 0.87 MAOB (0.56) MAOBPARP10MAOANPC1RAB9A
SCHEMBL3505582 0.85 MAOB (0.54) MAOBPARP10MAOANPC1RAB9A
SCHEMBL3502972 0.85 MAOB (0.54) MAOBPARP10MAOANPC1RAB9A
SCHEMBL5040846 0.85 HRH3 (0.47) MAOBPARP10MAOANPC1RAB9A
SCHEMBL5565059 0.83 NPC1 (0.56) MAOBPARP10MAOANPC1RAB9A
SCHEMBL3503767 0.83 MAOB (0.52) MAOBPARP10MAOANPC1RAB9A
SCHEMBL5044893 0.83 MAOB (0.52) MAOBPARP10MAOANPC1RAB9A
SCHEMBL3505922 0.83 HRH3 (0.52) MAOBPARP10MAOANPC1RAB9A
SCHEMBL3504780 0.82 MAOB (0.56) MAOBPARP10MAOANPC1RAB9A

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-1680127-B1 BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2008-10-15 EP claimed