SCHEMBL9119429

SCHEMBL9119429

CNC(=Nc1cccc(OCc2ccccc2)c1)N(C)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
MAOB P27338 5/20 0.44
CYP2D6 P10635 1/20 0.42
BCHE P06276 2/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
MAPK1 P28482 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
NR4A2 P43354 1/20 0.41
KMT2A Q03164 1/20 0.41
SMPD1 P17405 1/20 0.41

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
SCHEMBL4986932 0.83 SIGMAR1 (0.62) APPMAOBMAPK1SIGMAR1
SCHEMBL9118652 0.81 NOS3 (0.50) MAOBKMT2A
SCHEMBL9119425 0.79 LTA4H (0.51) APPMAOBCYP2D6MAPK1KMT2A
SCHEMBL4983985 0.76 MAOB (0.54) APPMAOBCYP2D6BCHECYP4F2
SCHEMBL4986651 0.75 SIGMAR1 (0.60) APPSIGMAR1
SCHEMBL4985930 0.74 PDK1 (0.51) APPMAOBMAPK1KMT2A
SCHEMBL5174579 0.74 MAOB (0.56) APPMAOBCYP2D6CYP4F2CYP4A11
SCHEMBL6962789 0.74 APP (0.74) APPMAOBBCHECYP4F2CYP4A11
Hydrochloric Acid SCHEMBL4984301 0.73 PDK1 (0.50) APPMAOBMAPK1KMT2A
SCHEMBL7507926 0.73 MAOB (0.57) MAOBBCHECYP4F2CYP4A11MAPK1

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
WO-1995020950-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-08-10 WO disclosed