SCHEMBL8935281

SCHEMBL8935281

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.56
NR4A2 P43354 2/20 0.54
MAOA P21397 1/20 0.53
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 2/20 0.47
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
NPC1 O15118 1/20 0.45
LTA4H P09960 2/20 0.45
SCN3A Q9NY46 1/20 0.44

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
SCHEMBL8935278 0.86 MAOB (0.60) MAOBNR4A2MAOAMAPTTP53
SCHEMBL8935299 0.86 MAOB (0.54) MAOBNR4A2MAOAMAPTTP53
SCHEMBL8935436 0.85 SCN3A (0.61) MAOBCYP1A2CYP2C19SCN3A
SCHEMBL7395944 0.79 MAOB (0.59) MAOBMAOAFFAR1
SCHEMBL4935064 0.79 MAOB (0.55) MAOBNR4A2MAOAMAPTTP53
SCHEMBL4935050 0.79 MAOB (0.55) MAOBNR4A2MAOAMAPTTP53
SCHEMBL8935407 0.79 PARP10 (0.61) MAOBMAPTRAB9ACYP1A2CYP3A4
SCHEMBL966191 0.76 SCN3A (0.73) MAOBNR4A2MAOAMAPTTP53
SCHEMBL30765129 0.76 NR4A2 (0.75) MAOBNR4A2MAOAMAPTMEN1
SCHEMBL8935335 0.75 MAOB (0.53) MAOBLTA4HLAP3

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