SCHEMBL3367653

SCHEMBL3367653

O=C(O)N[C@@H]1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.84
MAOA P21397 1/20 0.84
TP53 P04637 5/20 0.57
LMNA P02545 2/20 0.56
POLB P06746 6/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
NR4A2 P43354 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
SCHEMBL3367651 1.00 MAOB (0.84) MAOBMAOATP53LMNAPOLB
Sembragiline SCHEMBL3365609 0.91 MAOB (1.00) MAOBMAOATP53LMNAPOLB
Sembragiline SCHEMBL2440939 0.91 MAOB (1.00) MAOBMAOATP53LMNAPOLB
Sembragiline SCHEMBL2440943 0.91 MAOB (1.00) MAOBMAOATP53LMNAPOLB
SCHEMBL3367888 0.91 MAOB (0.82) MAOBMAOATP53LMNAPOLB
SCHEMBL3367900 0.91 MAOB (0.82) MAOBMAOATP53LMNAPOLB
Sembragiline SCHEMBL29361249 0.91 MAOB (1.00) MAOBMAOATP53LMNAPOLB
SCHEMBL3366532 0.90 MAOA (0.81) MAOBMAOATP53LMNAPOLB
SCHEMBL3366544 0.90 MAOA (0.81) MAOBMAOATP53LMNAPOLB
SCHEMBL3368619 0.90 MAOA (0.84) MAOBMAOATP53LMNAPOLB

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-1542970-B1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2010-06-30 EP claimed