SCHEMBL6422191

SCHEMBL6422191

CC(N)CCC(=O)Nc1ccc(OCc2ccc(F)cc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.51
LTA4H P09960 5/20 0.46
TP53 P04637 1/20 0.46
MAOA P21397 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 2/20 0.43
PARP10 Q53GL7 1/20 0.43
RAB9A P51151 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL4335849 0.84 MAOB (0.55) MAOBLTA4HMAOAHDAC1HDAC2
SCHEMBL4337731 0.84 MAOB (0.55) MAOBLTA4HMAOAHDAC1HDAC2
SCHEMBL4339933 0.83 MAOB (0.55) MAOBLTA4HMAOAHDAC1HDAC2
SCHEMBL4342930 0.82 MAOB (0.53) MAOBLTA4HMAOAHDAC1HDAC2
SCHEMBL3504655 0.82 MAOB (0.54) MAOBMAOAHDAC1HDAC2POLB
Hydrochloric Acid SCHEMBL5617603 0.81 MAOB (0.52) MAOBLTA4HMAOAHDAC1HDAC2
SCHEMBL3506683 0.81 MAOB (0.56) MAOBTP53MAOAHDAC1HDAC2
SCHEMBL4340508 0.80 MAOB (0.53) MAOBMAOAHDAC1HDAC2POLB
SCHEMBL1578374 0.79 MAOB (0.57) MAOBMAOAHDAC1HDAC2SMN1; SMN2
SCHEMBL5090204 0.79 HDAC1 (0.53) MAOBMAOAHDAC1HDAC2PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511718-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-09 EP disclosed
WO-2003099763-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-04 WO disclosed