SCHEMBL8935293

SCHEMBL8935293

CN(C)C(=O)CC(N)(O)Cc1ccc(OCc2ccccc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.53
MAOA P21397 1/20 0.51
NR4A2 P43354 2/20 0.49
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADAM17 P78536 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL8935329 0.87 MAOB (0.51) MAOBCYP1A2CYP2C19
SCHEMBL8935289 0.84 MAOB (0.51) MAOBMAOANR4A2MAPTTP53
SCHEMBL8935291 0.80 MAOB (0.51) MAOBMAOANR4A2MAPTTP53
SCHEMBL8935285 0.78 MAOB (0.56) MAOBMAOANR4A2MAPTTP53
SCHEMBL8935372 0.77 MAOB (0.54) MAOBMAOANR4A2
SCHEMBL8935278 0.76 MAOB (0.60) MAOBMAOANR4A2MAPTTP53
SCHEMBL8935304 0.75 MAOB (0.53) MAOBMAOANR4A2MAPTTP53
SCHEMBL8935294 0.73 MAOB (0.51) MAOBMAOANR4A2MAPTTP53
SCHEMBL8935370 0.72 MAOB (0.50) MAOBMAPTSMN1; SMN2
SCHEMBL8935297 0.71 MAOB (0.59) MAOBMAOANR4A2MAPTTP53

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
US-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed