SCHEMBL8433399

SCHEMBL8433399

CC(C)C(=O)NNCc1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MAOB P27338 4/20 0.56
MAOA P21397 2/20 0.56
NR4A2 P43354 1/20 0.54
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
APP P05067 1/20 0.51
PPARA Q07869 1/20 0.49
LMNA P02545 1/20 0.49
FFAR1 O14842 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
BCHE P06276 1/20 0.47

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
SCHEMBL8432748 0.86 MAOB (0.56) MAOBMAOANR4A2APPPPARA
SCHEMBL8431672 0.86 MAOB (0.58) MAOBMAOAFFAR1
SCHEMBL8434262 0.79 MAOB (0.58) NPC1RAB9AMAOBMAOAFFAR1
SCHEMBL8431815 0.79 MAOB (0.67) MAOBMAOANR4A2PPARA
SCHEMBL8433722 0.78 SCN9A (0.67) MAOB
SCHEMBL23440948 0.77 MAOB (0.65) NPC1RAB9AMAOBMAOAMEN1
SCHEMBL11511023 0.76 MAOB (0.56) NPC1RAB9AMAOBMAOANR4A2
SCHEMBL21991256 0.76 MAOB (0.63) NPC1RAB9AMAOBMAOANR4A2
SCHEMBL8433404 0.75 NPC1 (0.64) NPC1RAB9AMAOBMAOANR4A2
SCHEMBL11511079 0.75 ALDH1A1 (0.56) NPC1RAB9AMAOBMAOANR4A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5945454-A 2-(4-substituted)-benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN, S.P.A. (IT) 1999-08-31 US claimed
US-5945454-A 2-(4-substituted)-benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN, S.P.A. (IT) 1999-08-31 US disclosed