SCHEMBL8433404

SCHEMBL8433404

CC(CNCc1ccc(OCc2ccc(Cl)cc2)cc1)C(N)=O

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
MAOB P27338 2/20 0.52
MAOA P21397 1/20 0.52
LMNA P02545 1/20 0.52
BCHE P06276 2/20 0.50
NR4A2 P43354 1/20 0.50
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL8432752 0.88 MAOB (0.56) NPC1RAB9AMAOBMAOABCHE
SCHEMBL8434242 0.87 GID4 (0.60) MAOBMAOA
SCHEMBL23440948 0.82 MAOB (0.65) NPC1RAB9AMAOBMAOAMEN1
SCHEMBL8431818 0.80 MAOB (0.72) MAOBMAOA
SCHEMBL8434265 0.80 PARP15 (0.58) MAOBMAOA
SCHEMBL8433725 0.79 SCN9A (0.72) MAOBMAOABCHE
SCHEMBL11511833 0.78 MAOB (0.58) NPC1RAB9AMAOBMAOALMNA
SCHEMBL8433399 0.75 NPC1 (0.57) NPC1RAB9AMAOBMAOALMNA
SCHEMBL3971405 0.74 NPC1 (0.56) NPC1RAB9AMAOBMAOALMNA
SCHEMBL15890891 0.74 BCHE (0.65) NPC1RAB9AMAOBMAOALMNA

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