SCHEMBL8782838

SCHEMBL8782838

CN(C)c1ccc(NCc2ccccc2N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
SYK P43405 1/20 0.49
APP P05067 4/20 0.47
NOS1 P29475 1/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 2/20 0.47
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL6268448 0.81 APP (0.51) MAOAMAOBSYKAPPNOS1
SCHEMBL2983424 0.80 MAOA (0.51) MAOAMAOBAPPCA1CA2
SCHEMBL2463521 0.80 MAPT (0.68) MAOAMAOBAPPCA1CA2
SCHEMBL31438448 0.80 HDAC3 (0.47) MAOAMAOBCA1CA2CA9
SCHEMBL563869 0.80 HDAC3 (0.47) MAOAMAOBCA1CA2CA9
Hydrochloric Acid SCHEMBL6742142 0.80 APP (0.50) MAOAMAOBSYKAPPNOS1
Hydrochloric Acid SCHEMBL2989034 0.79 MAOA (0.50) MAOAMAOBAPPCA1CA2
SCHEMBL11535127 0.79 MAOA (0.51) MAOAMAOBAPPNOS1CA1
SCHEMBL2469342 0.78 HIF1A (0.59) MAOAMAOBMAPTALDH1A1L3MBTL1
SCHEMBL7516084 0.77 MAPT (0.55) APPCA1CA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 EP disclosed