SCHEMBL8935304

SCHEMBL8935304

CNC(=O)C(C)(N)Cc1ccc(OCc2ccccc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.53
MAOA P21397 1/20 0.53
NR4A2 P43354 2/20 0.51
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADAM17 P78536 1/20 0.45
LMNA P02545 1/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 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
SCHEMBL8935285 0.87 MAOB (0.56) MAOBMAOANR4A2MAPTTP53
SCHEMBL8935294 0.86 MAOB (0.51) MAOBMAOANR4A2MAPTTP53
SCHEMBL8935289 0.82 MAOB (0.51) MAOBMAOANR4A2MAPTTP53
SCHEMBL8935325 0.81 PKM (0.57) MAOBMAOAS1PR1S1PR5
SCHEMBL8935291 0.75 MAOB (0.51) MAOBMAOANR4A2MAPTTP53
SCHEMBL8935293 0.75 MAOB (0.53) MAOBMAOANR4A2MAPTTP53
SCHEMBL6247793 0.75 SLC6A2 (0.52) MAPTGAACYP1A2CYP3A4CYP2D6
SCHEMBL1933420 0.75 SLC6A2 (0.52) MAPTGAACYP1A2CYP3A4CYP2D6
SCHEMBL6247788 0.75 SLC6A2 (0.52) MAPTGAACYP1A2CYP3A4CYP2D6
SCHEMBL4354325 0.74 MAOB (0.62) 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