SCHEMBL8935299

SCHEMBL8935299

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.54
MAOA P21397 1/20 0.52
NR4A2 P43354 2/20 0.50
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADAM17 P78536 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
LTA4H P09960 2/20 0.43
ITGA4 P13612 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 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
SCHEMBL8935281 0.86 MAOB (0.56) MAOBMAOANR4A2MAPTTP53
SCHEMBL8935278 0.84 MAOB (0.60) MAOBMAOANR4A2MAPTTP53
SCHEMBL10436008 0.81 TP53 (0.52) MAOBMAOANR4A2MAPTTP53
SCHEMBL8935321 0.81 MAOB (0.55) MAOBMAOAFFAR1
SCHEMBL8935289 0.79 MAOB (0.51) MAOBMAOANR4A2MAPTTP53
SCHEMBL4935064 0.78 MAOB (0.55) MAOBMAOANR4A2MAPTTP53
SCHEMBL4935050 0.78 MAOB (0.55) MAOBMAOANR4A2MAPTTP53
SCHEMBL24387811 0.76 MMP2 (0.55) MAOARAB9ANPC1
SCHEMBL21144745 0.76 MMP2 (0.55) MAOARAB9ANPC1
SCHEMBL1708850 0.76 MMP2 (0.55) MAOARAB9ANPC1

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