SCHEMBL8935291

SCHEMBL8935291

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.51
MAOA P21397 1/20 0.51
NR4A2 P43354 2/20 0.49
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADAM17 P78536 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL8935326 0.87 MAOB (0.51) MAOBCYP1A2CYP2C19
SCHEMBL8935294 0.84 MAOB (0.51) MAOBMAOANR4A2CYP1A2CYP3A4
SCHEMBL8935293 0.80 MAOB (0.53) MAOBMAOANR4A2CYP1A2CYP3A4
SCHEMBL8935285 0.78 MAOB (0.56) MAOBMAOANR4A2CYP1A2CYP3A4
SCHEMBL8935363 0.77 MAOB (0.54) MAOBMAOANR4A2
SCHEMBL8935304 0.75 MAOB (0.53) MAOBMAOANR4A2CYP1A2CYP3A4
SCHEMBL8935289 0.73 MAOB (0.51) MAOBMAOANR4A2CYP1A2CYP3A4
SCHEMBL8935286 0.72 MAOB (0.54) MAOBMAOANR4A2CYP1A2CYP3A4
SCHEMBL8935278 0.72 MAOB (0.60) MAOBMAOANR4A2CYP1A2CYP3A4
SCHEMBL8935297 0.71 MAOB (0.59) MAOBMAOANR4A2CYP1A2CYP3A4

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