SCHEMBL9004068

SCHEMBL9004068

CCC(/C=C/c1ccc(Cl)cc1)=N\OC[C@H](C)CN(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPA1 O75762 1/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
RECQL P46063 1/20 0.36
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAOB P27338 2/20 0.35
UTS2R Q9UKP6 2/20 0.35
CYP1A2 P05177 1/20 0.34
BCHE P06276 1/20 0.33

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
SCHEMBL9004119 0.88 MAOB (0.39) MEN1KMT2ATRPA1LMNAALDH1A1
SCHEMBL9004100 0.80 HTR2A (0.46) MAPTMEN1KMT2ATRPA1LMNA
SCHEMBL9004091 0.79 LMNA (0.45) MAPTNOS3NOS1NOS2LMNA
SCHEMBL9004140 0.78 LMNA (0.44) MAPTNOS3NOS1NOS2LMNA
SCHEMBL9004183 0.76 NFE2L2 (0.43) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL9004142 0.74 KCNH2 (0.42) MAPTMEN1KMT2ATRPA1LMNA
SCHEMBL9412273 0.73 HTR2A (0.43) MAPTNOS3NOS1NOS2LMNA
SCHEMBL9004133 0.73 ALOX15 (0.45) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL9004144 0.71 UTS2R (0.39) MAPTNOS3NOS1NOS2LMNA
SCHEMBL9004115 0.71 HTR2A (0.45) MAPTMEN1KMT2ATRPA1LMNA

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-5486528-A ANTIULCER AGENTS, ANXIOLYTIC AGENTS EGIS GYOGYSZERGYAR RT. (HU) 1996-01-23 US disclosed
EP-0619299-A2 1-(Phenyl)-3-[omega-(amino)-alkoxyimino]-alk-1-ene derivatives, a process for preparing them as well as medicaments containing them and the use of them EGIS GYOGYSZERGYAR RT. (HU) 1994-10-12 EP disclosed