SCHEMBL9004100

SCHEMBL9004100

CCC(/C=C/c1ccc(Cl)cc1)=N\OCCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
MAPT P10636 3/20 0.40
TRPA1 O75762 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
UTS2R Q9UKP6 3/20 0.39
MAOB P27338 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CYP1A2 P05177 3/20 0.37
ACHE P22303 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9004122 0.90 HTR2A (0.45) HTR2AHTR2CHTR2BMAPTTRPA1
SCHEMBL9004115 0.90 HTR2A (0.45) HTR2AHTR2CHTR2BMAPTTRPA1
SCHEMBL9004121 0.90 HTR2A (0.45) HTR2AHTR2CHTR2BMAPTTRPA1
SCHEMBL9004142 0.88 KCNH2 (0.42) HTR2AHTR2CHTR2BMAPTTRPA1
SCHEMBL9004102 0.86 HTR2A (0.51) HTR2AHTR2CHTR2BTRPA1NPC1
SCHEMBL9004155 0.86 LMNA (0.51) HTR2AHTR2CHTR2BNPC1LMNA
SCHEMBL9412273 0.84 HTR2A (0.43) HTR2AHTR2CHTR2BMAPTNPC1
SCHEMBL9004068 0.80 MAPT (0.38) MAPTTRPA1MEN1KMT2ANPC1
SCHEMBL9004093 0.79 BCHE (0.51) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL9412227 0.79 KCNH2 (0.43) HTR2AHTR2CHTR2BMAPTTRPA1

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